CID 21912592

36078-89-4

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C14H13N3/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H,9,15H2,(H,16,17)

InChIKey

CYUNYLCJTMEPPR-UHFFFAOYSA-N

Compound name

[4-(1H-benzimidazol-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 223.11095 Da
Monoisotopic Mass: 2.1
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]+	224.118226	148.0
[M+Na]+	246.100168	157.8
[M-H]-	222.103674	152.1
[M+NH4]+	241.144773	165.4
[M+K]+	262.074108	151.4
[M+H-H2O]+	206.108210	139.9
[M+HCOO]-	268.109151	170.9
[M+CH3COO]-	282.124801	160.6
[M+Na-2H]-	244.085616	155.3
[M]+	223.11040142	146.6
[M]-	223.11149858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe