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]+ 286.15502 168.1
[M+Na]+ 308.13696 176.0
[M-H]- 284.14046 171.3
[M+NH4]+ 303.18156 180.7
[M+K]+ 324.11090 171.2
[M+H-H2O]+ 268.14500 157.9
[M+HCOO]- 330.14594 182.8
[M+CH3COO]- 344.16159 178.1
[M+Na-2H]- 306.12241 171.0
[M]+ 285.14719 166.0
[M]- 285.14829 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.