CID 24272274

13745-37-4

Structural Information

Molecular Formula

C₁₅H₁₅N₃

SMILES

CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)N

InChI

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

InChIKey

DOEVDPVYKHFOHK-UHFFFAOYSA-N

Compound name

(1-methylbenzimidazol-2-yl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.1266 Da
Monoisotopic Mass: 2.0
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]+	238.13388	153.3
[M+Na]+	260.11582	162.7
[M-H]-	236.11932	158.6
[M+NH4]+	255.16042	170.7
[M+K]+	276.08976	157.4
[M+H-H2O]+	220.12386	144.7
[M+HCOO]-	282.12480	176.3
[M+CH3COO]-	296.14045	165.9
[M+Na-2H]-	258.10127	159.2
[M]+	237.12605	153.4
[M]-	237.12715	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.