CID 3073398

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

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C
InChI
InChI=1S/C16H19N3O2/c1-17-7-9-19(10-8-17)16(21)14-11-18(2)15(20)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKey
QOOOQAHHIYTIIB-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 168.1
[M+Na]+ 308.136958 176.0
[M-H]- 284.140464 171.3
[M+NH4]+ 303.181563 180.7
[M+K]+ 324.110898 171.2
[M+H-H2O]+ 268.145000 157.9
[M+HCOO]- 330.145941 182.8
[M+CH3COO]- 344.161591 178.1
[M+Na-2H]- 306.122406 171.0
[M]+ 285.14719142 166.0
[M]- 285.14828858 166.0
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.