PubChemLite - 5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-n-(oxetan-3-yl)-2-phenyl-1h-benzimidazole-6-carboxamide (C24H20BrN5O4)

Structural Information

Molecular Formula

SMILES

CN1C=C(C=C(C1=O)C(=O)NC2=CC3=C(C=C2C(=O)NC4COC4)NC(=N3)C5=CC=CC=C5)Br

InChI

InChI=1S/C24H20BrN5O4/c1-30-10-14(25)7-17(24(30)33)23(32)29-18-9-20-19(8-16(18)22(31)26-15-11-34-12-15)27-21(28-20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3,(H,26,31)(H,27,28)(H,29,32)

InChIKey

WXPYFTHDDRZTRR-UHFFFAOYSA-N

Compound name

6-[(5-bromo-1-methyl-2-oxopyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-3H-benzimidazole-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	522.07718	208.5
[M+Na]+	544.05912	215.4
[M-H]-	520.06262	219.5
[M+NH4]+	539.10372	208.2
[M+K]+	560.03306	207.7
[M+H-H2O]+	504.06716	197.7
[M+HCOO]-	566.06810	222.7
[M+CH3COO]-	580.08375	216.7
[M+Na-2H]-	542.04457	209.7
[M]+	521.06935	234.7
[M]-	521.07045	234.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.07718

208.5

[M+Na]+

544.05912

215.4

[M-H]-

520.06262

219.5

[M+NH4]+

539.10372

208.2

[M+K]+

560.03306

207.7

[M+H-H2O]+

504.06716

197.7

[M+HCOO]-

566.06810

222.7

[M+CH3COO]-

580.08375

216.7

[M+Na-2H]-

542.04457

209.7

[M]+

521.06935

234.7

[M]-

521.07045

234.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-n-(oxetan-3-yl)-2-phenyl-1h-benzimidazole-6-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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