CID 88638

20662-53-7

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CNCCC1N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChIKey
BYNBAMHAURJNTR-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

68
References

1697
Patents

217.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.8
[M+Na]+ 240.11072 155.9
[M-H]- 216.11422 148.7
[M+NH4]+ 235.15532 163.6
[M+K]+ 256.08466 149.9
[M+H-H2O]+ 200.11876 139.3
[M+HCOO]- 262.11970 164.0
[M+CH3COO]- 276.13535 158.7
[M+Na-2H]- 238.09617 152.7
[M]+ 217.12095 142.3
[M]- 217.12205 142.3
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.