CID 3074500

Piperidine, 1-((3,4-dihydro-4-oxo-2(1h)-cinnolinyl)acetyl)-

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1CCN(CC1)C(=O)CN2CC(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C15H19N3O2/c19-14-10-18(16-13-7-3-2-6-12(13)14)11-15(20)17-8-4-1-5-9-17/h2-3,6-7,16H,1,4-5,8-11H2
InChIKey
HEQJYFISZHBUSW-UHFFFAOYSA-N
Compound name
2-(2-oxo-2-piperidin-1-ylethyl)-1,3-dihydrocinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 165.6
[M+Na]+ 296.136958 169.6
[M-H]- 272.140464 166.0
[M+NH4]+ 291.181563 177.1
[M+K]+ 312.110898 164.7
[M+H-H2O]+ 256.145000 155.5
[M+HCOO]- 318.145941 176.3
[M+CH3COO]- 332.161591 173.6
[M+Na-2H]- 294.122406 168.1
[M]+ 273.14719142 157.7
[M]- 273.14828858 157.7
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.