CID 54683390

Schembl4328644

Structural Information

Molecular Formula
C18H14FN3O3S
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=CS3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C18H14FN3O3S/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/h1-5,8,10,24H,6-7,9H2
InChIKey
JHYFBIIMIRXXTJ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1,3-thiazol-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

371.074 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08128 184.4
[M+Na]+ 394.06322 195.5
[M-H]- 370.06672 189.6
[M+NH4]+ 389.10782 195.5
[M+K]+ 410.03716 188.0
[M+H-H2O]+ 354.07126 174.6
[M+HCOO]- 416.07220 196.0
[M+CH3COO]- 430.08785 194.1
[M+Na-2H]- 392.04867 183.2
[M]+ 371.07345 185.5
[M]- 371.07455 185.5
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

No patent data available for this compound.