CID 54707928

2-[3-(2-chloro-6-fluoro-phenyl)propyl]-9-hydroxy-7-thiazol-2-yl-pyrido[1,2-a]pyrazine-1,8-dione

Structural Information

Molecular Formula
C20H15ClFN3O3S
SMILES
C1=CC(=C(C(=C1)Cl)CCCN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CS4)F
InChI
InChI=1S/C20H15ClFN3O3S/c21-14-4-1-5-15(22)12(14)3-2-7-24-8-9-25-11-13(19-23-6-10-29-19)17(26)18(27)16(25)20(24)28/h1,4-6,8-11,27H,2-3,7H2
InChIKey
JWBXPVDPILWFSZ-UHFFFAOYSA-N
Compound name
2-[3-(2-chloro-6-fluorophenyl)propyl]-9-hydroxy-7-(1,3-thiazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.05066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.05794 197.2
[M+Na]+ 454.03988 211.5
[M-H]- 430.04338 203.4
[M+NH4]+ 449.08448 207.2
[M+K]+ 470.01382 202.2
[M+H-H2O]+ 414.04792 187.5
[M+HCOO]- 476.04886 207.5
[M+CH3COO]- 490.06451 207.4
[M+Na-2H]- 452.02533 196.5
[M]+ 431.05011 205.5
[M]- 431.05121 205.5
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