CID 75070

2147-83-3

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

C1CNCC=C1N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)

InChIKey

YFEOSTXFQCDCAR-UHFFFAOYSA-N

Compound name

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 66
Patents: 215.10587 Da
Monoisotopic Mass: 1.3
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]+	216.11315	146.9
[M+Na]+	238.09509	160.9
[M+NH4]+	233.13969	154.8
[M+K]+	254.06903	155.8
[M-H]-	214.09859	148.9
[M+Na-2H]-	236.08054	154.1
[M]+	215.10532	149.3
[M]-	215.10642	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe