CID 54683454

Schembl4318847

Structural Information

Molecular Formula
C18H16ClN3O4
SMILES
CC(=O)N(C)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H16ClN3O4/c1-11(23)20(2)14-10-21-6-7-22(9-12-4-3-5-13(19)8-12)18(26)15(21)17(25)16(14)24/h3-8,10,25H,9H2,1-2H3
InChIKey
BXJCUWFMWDTODW-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

373.08295 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09023 182.5
[M+Na]+ 396.07217 193.6
[M-H]- 372.07567 188.6
[M+NH4]+ 391.11677 193.9
[M+K]+ 412.04611 188.4
[M+H-H2O]+ 356.08021 173.5
[M+HCOO]- 418.08115 198.2
[M+CH3COO]- 432.09680 220.4
[M+Na-2H]- 394.05762 185.3
[M]+ 373.08240 189.0
[M]- 373.08350 189.0
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.