CID 3073397

Piperidine, 1-((1,2-dihydro-2-methyl-1-oxo-4-isoquinolinyl)carbonyl)-

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCCCC3
InChI
InChI=1S/C16H18N2O2/c1-17-11-14(16(20)18-9-5-2-6-10-18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKey
ZQLKLODIBRCVSD-UHFFFAOYSA-N
Compound name
2-methyl-4-(piperidine-1-carbonyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.5
[M+Na]+ 293.12606 176.8
[M+NH4]+ 288.17066 170.5
[M+K]+ 309.10000 169.3
[M-H]- 269.12956 166.0
[M+Na-2H]- 291.11151 169.4
[M]+ 270.13629 165.5
[M]- 270.13739 165.5
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.