CID 54705383

Schembl14129895

Structural Information

Molecular Formula
C18H12ClN3O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CO4
InChI
InChI=1S/C18H12ClN3O4/c19-12-3-1-2-11(8-12)9-22-6-5-21-10-13(17-20-4-7-26-17)15(23)16(24)14(21)18(22)25/h1-8,10,24H,9H2
InChIKey
YOSAEAFXBGVENE-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

369.05164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05892 182.9
[M+Na]+ 392.04086 197.0
[M-H]- 368.04436 190.9
[M+NH4]+ 387.08546 193.0
[M+K]+ 408.01480 190.6
[M+H-H2O]+ 352.04890 172.9
[M+HCOO]- 414.04984 198.7
[M+CH3COO]- 428.06549 194.6
[M+Na-2H]- 390.02631 187.0
[M]+ 369.05109 190.6
[M]- 369.05219 190.6
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