CID 54705302

Schembl4316164

Structural Information

Molecular Formula
C17H15ClN2O4
SMILES
CC(C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C17H15ClN2O4/c1-10(21)13-9-19(8-11-3-2-4-12(18)7-11)17(24)15-16(23)14(22)5-6-20(13)15/h2-7,9-10,21,23H,8H2,1H3
InChIKey
GZESDFBGLJRTJH-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-4-(1-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

346.07202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07930 175.4
[M+Na]+ 369.06124 187.1
[M-H]- 345.06474 179.0
[M+NH4]+ 364.10584 187.1
[M+K]+ 385.03518 180.4
[M+H-H2O]+ 329.06928 167.4
[M+HCOO]- 391.07022 188.2
[M+CH3COO]- 405.08587 208.2
[M+Na-2H]- 367.04669 178.4
[M]+ 346.07147 180.0
[M]- 346.07257 180.0
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.