CID 54683430

Schembl14129777

Structural Information

Molecular Formula
C18H12FN3O3S
SMILES
C1=CC(=CC=C1CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CS4)F
InChI
InChI=1S/C18H12FN3O3S/c19-12-3-1-11(2-4-12)9-22-7-6-21-10-13(17-20-5-8-26-17)15(23)16(24)14(21)18(22)25/h1-8,10,24H,9H2
InChIKey
WREVAUCCXQSMPR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-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

6
Patents

369.05835 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06563 183.0
[M+Na]+ 392.04757 197.1
[M-H]- 368.05107 189.5
[M+NH4]+ 387.09217 194.5
[M+K]+ 408.02151 189.0
[M+H-H2O]+ 352.05561 173.2
[M+HCOO]- 414.05655 198.8
[M+CH3COO]- 428.07220 194.3
[M+Na-2H]- 390.03302 184.4
[M]+ 369.05780 188.2
[M]- 369.05890 188.2
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