PubChemLite - 1h-benzimidazole-5-carboximidamide, n-(1-methylethyl)-2-[4-(4-oxo-4h-1-benzopyran-2-yl)-2,4-cyclohexadien-1-yl]- (C26H24N4O2)

Structural Information

Molecular Formula

SMILES

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3CC=C(C=C3)C4=CC(=O)C5=CC=CC=C5O4)N

InChI

InChI=1S/C26H24N4O2/c1-15(2)28-25(27)18-11-12-20-21(13-18)30-26(29-20)17-9-7-16(8-10-17)24-14-22(31)19-5-3-4-6-23(19)32-24/h3-9,11-15,17H,10H2,1-2H3,(H2,27,28)(H,29,30)

InChIKey

ZLLUHRRVEUSHJY-UHFFFAOYSA-N

Compound name

2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide

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]+	425.19718	204.2
[M+Na]+	447.17912	211.7
[M-H]-	423.18262	213.8
[M+NH4]+	442.22372	212.5
[M+K]+	463.15306	205.3
[M+H-H2O]+	407.18716	193.0
[M+HCOO]-	469.18810	222.1
[M+CH3COO]-	483.20375	212.7
[M+Na-2H]-	445.16457	206.1
[M]+	424.18935	204.4
[M]-	424.19045	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.19718

204.2

[M+Na]+

447.17912

211.7

[M-H]-

423.18262

213.8

[M+NH4]+

442.22372

212.5

[M+K]+

463.15306

205.3

[M+H-H2O]+

407.18716

193.0

[M+HCOO]-

469.18810

222.1

[M+CH3COO]-

483.20375

212.7

[M+Na-2H]-

445.16457

206.1

[M]+

424.18935

204.4

[M]-

424.19045

204.4

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

1h-benzimidazole-5-carboximidamide, n-(1-methylethyl)-2-[4-(4-oxo-4h-1-benzopyran-2-yl)-2,4-cyclohexadien-1-yl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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