CID 104607

5-chloro-1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

Structural Information

Molecular Formula
C12H14ClN3O
SMILES
C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O
InChI
InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
InChIKey
DOAYWDKFDPSTSV-UHFFFAOYSA-N
Compound name
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

254
Patents

251.08253 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08981 154.8
[M+Na]+ 274.07175 164.4
[M-H]- 250.07525 155.6
[M+NH4]+ 269.11635 170.2
[M+K]+ 290.04569 156.9
[M+H-H2O]+ 234.07979 146.6
[M+HCOO]- 296.08073 166.1
[M+CH3COO]- 310.09638 165.4
[M+Na-2H]- 272.05720 158.2
[M]+ 251.08198 151.6
[M]- 251.08308 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.