CID 165368458

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

Molecular Formula
C24H20BrN5O4
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.0699 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.07718 215.9
[M+Na]+ 544.05912 216.4
[M+NH4]+ 539.10372 213.6
[M+K]+ 560.03306 219.2
[M-H]- 520.06262 217.8
[M+Na-2H]- 542.04457 216.4
[M]+ 521.06935 214.2
[M]- 521.07045 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.