CID 2771997

25810-64-4

Structural Information

Molecular Formula

C₁₅H₁₅N₃

SMILES

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C15H15N3/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2,(H,17,18)

InChIKey

XUKFUDAFEGNTRD-UHFFFAOYSA-N

Compound name

1-(1H-benzimidazol-2-yl)-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 237.1266 Da
Monoisotopic Mass: 2.5
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	152.5
[M+Na]+	260.11582	160.5
[M-H]-	236.11932	156.1
[M+NH4]+	255.16042	168.9
[M+K]+	276.08976	154.4
[M+H-H2O]+	220.12386	144.0
[M+HCOO]-	282.12480	174.0
[M+CH3COO]-	296.14045	164.2
[M+Na-2H]-	258.10127	158.8
[M]+	237.12605	150.4
[M]-	237.12715	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe