CID 54683575

Schembl14129650

Structural Information

Molecular Formula
C19H13ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C3N2C=CN(C3=O)CC4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C19H13ClN2O3/c20-13-5-3-4-12(10-13)11-21-8-9-22-15-7-2-1-6-14(15)17(23)18(24)16(22)19(21)25/h1-10,24H,11H2
InChIKey
KRDNEXQRIXYCRU-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

352.06146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06874 179.0
[M+Na]+ 375.05068 192.9
[M-H]- 351.05418 184.8
[M+NH4]+ 370.09528 191.9
[M+K]+ 391.02462 184.7
[M+H-H2O]+ 335.05872 169.4
[M+HCOO]- 397.05966 194.2
[M+CH3COO]- 411.07531 190.5
[M+Na-2H]- 373.03613 186.1
[M]+ 352.06091 185.1
[M]- 352.06201 185.1
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

patents stripe