CID 1086601

21444-76-8

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

CN1C2=C(C=C(C=C2)N)N=C1C3=CC=CC=C3

InChI

InChI=1S/C14H13N3/c1-17-13-8-7-11(15)9-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,15H2,1H3

InChIKey

GIKCUSHEAWLHRH-UHFFFAOYSA-N

Compound name

1-methyl-2-phenylbenzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
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	148.9
[M+Na]+	246.10017	164.9
[M+NH4]+	241.14477	158.3
[M+K]+	262.07411	158.4
[M-H]-	222.10367	154.0
[M+Na-2H]-	244.08562	158.7
[M]+	223.11040	152.7
[M]-	223.11150	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe