CID 54683320

Schembl14129893

Structural Information

Molecular Formula
C22H16ClN3O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H16ClN3O4/c23-15-6-4-5-14(11-15)12-26-10-9-25-13-17(19(27)20(28)18(25)22(26)30)21(29)24-16-7-2-1-3-8-16/h1-11,13,28H,12H2,(H,24,29)
InChIKey
DRCFNZDOXVKHEQ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-phenylpyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

421.08295 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09023 197.0
[M+Na]+ 444.07217 207.2
[M-H]- 420.07567 204.5
[M+NH4]+ 439.11677 205.0
[M+K]+ 460.04611 199.7
[M+H-H2O]+ 404.08021 186.1
[M+HCOO]- 466.08115 211.8
[M+CH3COO]- 480.09680 206.3
[M+Na-2H]- 442.05762 200.8
[M]+ 421.08240 200.9
[M]- 421.08350 200.9
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

patents stripe