CID 54705405

Schembl14129864

Structural Information

Molecular Formula
C21H15ClN2O3
SMILES
C1=CC=C(C=C1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H15ClN2O3/c22-16-8-4-5-14(11-16)12-24-10-9-23-13-17(15-6-2-1-3-7-15)19(25)20(26)18(23)21(24)27/h1-11,13,26H,12H2
InChIKey
PIQTVOCXUPNQEL-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

378.07712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08440 187.9
[M+Na]+ 401.06634 199.8
[M-H]- 377.06984 195.3
[M+NH4]+ 396.11094 198.2
[M+K]+ 417.04028 191.4
[M+H-H2O]+ 361.07438 177.2
[M+HCOO]- 423.07532 202.5
[M+CH3COO]- 437.09097 198.3
[M+Na-2H]- 399.05179 192.2
[M]+ 378.07657 191.9
[M]- 378.07767 191.9
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.