CID 9796488

152628-02-9

Structural Information

Molecular Formula

C₁₉H₂₀N₄

SMILES

CCCC1=NC2=C(N1)C=C(C=C2C)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C19H20N4/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)

InChIKey

ILXRSCZVHSZGCS-UHFFFAOYSA-N

Compound name

4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 245
Patents: 304.1688 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	305.17608	175.1
[M+Na]+	327.15802	188.3
[M-H]-	303.16152	179.2
[M+NH4]+	322.20262	190.6
[M+K]+	343.13196	180.3
[M+H-H2O]+	287.16606	165.9
[M+HCOO]-	349.16700	194.8
[M+CH3COO]-	363.18265	186.9
[M+Na-2H]-	325.14347	177.7
[M]+	304.16825	180.2
[M]-	304.16935	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe