CID 16796128

142335-67-9

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)N

InChI

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

InChIKey

NONUWTMEUPNZCI-UHFFFAOYSA-N

Compound name

4-(benzimidazol-1-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 223.11095 Da
Monoisotopic Mass: 2.4
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]+	224.11823	148.1
[M+Na]+	246.10017	158.3
[M-H]-	222.10367	153.4
[M+NH4]+	241.14477	166.2
[M+K]+	262.07411	152.7
[M+H-H2O]+	206.10821	139.5
[M+HCOO]-	268.10915	172.4
[M+CH3COO]-	282.12480	161.3
[M+Na-2H]-	244.08562	155.7
[M]+	223.11040	148.4
[M]-	223.11150	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe