CID 2773197

1-phenyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C13H11N3/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H,(H2,14,15)

InChIKey

LUEQIDSEGWXUMD-UHFFFAOYSA-N

Compound name

1-phenylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 209.09529 Da
Monoisotopic Mass: 2.6
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]+	210.10257	143.5
[M+Na]+	232.08451	154.1
[M-H]-	208.08801	149.0
[M+NH4]+	227.12911	162.1
[M+K]+	248.05845	148.8
[M+H-H2O]+	192.09255	135.2
[M+HCOO]-	254.09349	168.1
[M+CH3COO]-	268.10914	157.1
[M+Na-2H]-	230.06996	151.6
[M]+	209.09474	143.5
[M]-	209.09584	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe