CID 84796017

7-hydroxy-1-(piperidin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one hydrochloride

Structural Information

Molecular Formula
C12H15N3O2
SMILES
C1CNCCC1N2C3=C(C=CC=C3O)NC2=O
InChI
InChI=1S/C12H15N3O2/c16-10-3-1-2-9-11(10)15(12(17)14-9)8-4-6-13-7-5-8/h1-3,8,13,16H,4-7H2,(H,14,17)
InChIKey
NIESXMGVVGFUEV-UHFFFAOYSA-N
Compound name
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.6
[M+Na]+ 256.10564 160.1
[M-H]- 232.10914 151.6
[M+NH4]+ 251.15024 166.3
[M+K]+ 272.07958 153.8
[M+H-H2O]+ 216.11368 143.6
[M+HCOO]- 278.11462 166.5
[M+CH3COO]- 292.13027 162.0
[M+Na-2H]- 254.09109 155.4
[M]+ 233.11587 146.2
[M]- 233.11697 146.2
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

patents stripe