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

255
Patents

251.08253 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.089806 154.8
[M+Na]+ 274.071748 164.4
[M-H]- 250.075254 155.6
[M+NH4]+ 269.116353 170.2
[M+K]+ 290.045688 156.9
[M+H-H2O]+ 234.079790 146.6
[M+HCOO]- 296.080731 166.1
[M+CH3COO]- 310.096381 165.4
[M+Na-2H]- 272.057196 158.2
[M]+ 251.08198142 151.6
[M]- 251.08307858 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

literature stripe

Patent stripe

patents stripe