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

1700
Patents

217.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.8
[M+Na]+ 240.110718 155.9
[M-H]- 216.114224 148.7
[M+NH4]+ 235.155323 163.6
[M+K]+ 256.084658 149.9
[M+H-H2O]+ 200.118760 139.3
[M+HCOO]- 262.119701 164.0
[M+CH3COO]- 276.135351 158.7
[M+Na-2H]- 238.096166 152.7
[M]+ 217.12095142 142.3
[M]- 217.12204858 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

literature stripe

Patent stripe

patents stripe