CID 54683461

Schembl4329002

Structural Information

Molecular Formula
C16H14FN3O5S
SMILES
CS(=O)(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O5S/c1-26(24,25)18-12-9-19-6-7-20(8-10-2-4-11(17)5-3-10)16(23)13(19)15(22)14(12)21/h2-7,9,18,22H,8H2,1H3
InChIKey
NANQTGWKSQQODD-UHFFFAOYSA-N
Compound name
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

379.0638 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07108 183.5
[M+Na]+ 402.05302 194.9
[M-H]- 378.05652 187.1
[M+NH4]+ 397.09762 193.4
[M+K]+ 418.02696 188.6
[M+H-H2O]+ 362.06106 174.1
[M+HCOO]- 424.06200 197.3
[M+CH3COO]- 438.07765 215.9
[M+Na-2H]- 400.03847 187.9
[M]+ 379.06325 187.7
[M]- 379.06435 187.7
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.