CID 75070

1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazol-2-one

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
2
Annotation Hits

6
References

173
Patents

215.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 146.3
[M+Na]+ 238.095088 155.4
[M-H]- 214.098594 147.6
[M+NH4]+ 233.139693 162.2
[M+K]+ 254.069028 149.2
[M+H-H2O]+ 198.103130 137.8
[M+HCOO]- 260.104071 163.9
[M+CH3COO]- 274.119721 157.7
[M+Na-2H]- 236.080536 152.2
[M]+ 215.10532142 142.2
[M]- 215.10641858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe