CID 401584

1185293-91-7

Structural Information

Molecular Formula

C₁₅H₁₅N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C15H15N3/c1-10-2-7-13-14(8-10)18-15(17-13)9-11-3-5-12(16)6-4-11/h2-8H,9,16H2,1H3,(H,17,18)

InChIKey

OPLXYWVBFUSFRS-UHFFFAOYSA-N

Compound name

4-[(6-methyl-1H-benzimidazol-2-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.1266 Da
Monoisotopic Mass: 3.1
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]+	238.133876	153.4
[M+Na]+	260.115818	163.7
[M-H]-	236.119324	157.7
[M+NH4]+	255.160423	170.6
[M+K]+	276.089758	157.0
[M+H-H2O]+	220.123860	145.3
[M+HCOO]-	282.124801	175.9
[M+CH3COO]-	296.140451	165.9
[M+Na-2H]-	258.101266	159.3
[M]+	237.12605142	152.7
[M]-	237.12714858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe