CID 5280295

Chembl4563495

Structural Information

Molecular Formula
C22H19N3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CC4=C(C=CC=N4)C=C3
InChI
InChI=1S/C22H19N3O3/c26-20(18-9-8-16-7-4-10-23-19(16)15-18)22(28)25-13-11-24(12-14-25)21(27)17-5-2-1-3-6-17/h1-10,15H,11-14H2
InChIKey
PHZNTPSVAUTQJW-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-quinolin-7-ylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 188.5
[M+Na]+ 396.13186 192.3
[M-H]- 372.13536 193.5
[M+NH4]+ 391.17646 195.5
[M+K]+ 412.10580 186.8
[M+H-H2O]+ 356.13990 176.0
[M+HCOO]- 418.14084 200.6
[M+CH3COO]- 432.15649 195.6
[M+Na-2H]- 394.11731 190.3
[M]+ 373.14209 184.1
[M]- 373.14319 184.1
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

No patent data available for this compound.