CID 54683381

Schembl14129754

Structural Information

Molecular Formula
C15H11ClN2O4
SMILES
C1=CC(=C(C=C1Cl)O)CN2C=CN3C=CC(=O)C(=C3C2=O)O
InChI
InChI=1S/C15H11ClN2O4/c16-10-2-1-9(12(20)7-10)8-18-6-5-17-4-3-11(19)14(21)13(17)15(18)22/h1-7,20-21H,8H2
InChIKey
JCCYFHPHNBCVBP-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-hydroxyphenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

318.04074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04802 167.2
[M+Na]+ 341.02996 180.1
[M-H]- 317.03346 171.0
[M+NH4]+ 336.07456 180.0
[M+K]+ 357.00390 173.3
[M+H-H2O]+ 301.03800 159.3
[M+HCOO]- 363.03894 181.6
[M+CH3COO]- 377.05459 178.9
[M+Na-2H]- 339.01541 172.3
[M]+ 318.04019 171.6
[M]- 318.04129 171.6
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