CID 54705403

Schembl4330791

Structural Information

Molecular Formula
C16H12ClN3O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C(=O)N
InChI
InChI=1S/C16H12ClN3O4/c17-10-3-1-2-9(6-10)7-20-5-4-19-8-11(15(18)23)13(21)14(22)12(19)16(20)24/h1-6,8,22H,7H2,(H2,18,23)
InChIKey
RUECTYPLOJTPSN-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

345.05164 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05892 175.0
[M+Na]+ 368.04086 186.9
[M-H]- 344.04436 179.6
[M+NH4]+ 363.08546 186.7
[M+K]+ 384.01480 180.4
[M+H-H2O]+ 328.04890 166.7
[M+HCOO]- 390.04984 190.2
[M+CH3COO]- 404.06549 211.6
[M+Na-2H]- 366.02631 178.5
[M]+ 345.05109 178.7
[M]- 345.05219 178.7
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