CID 357243

Nsc615413

Structural Information

Molecular Formula
C15H12FN3O4S
SMILES
C1C(=O)N(C(S1(=O)=O)C2=CC=CC=C2F)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C15H12FN3O4S/c16-12-4-2-1-3-11(12)15-19(13(20)9-24(15,22)23)18-14(21)10-5-7-17-8-6-10/h1-8,15H,9H2,(H,18,21)
InChIKey
ISAIUKQYLNNHBU-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

349.05325 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06053 174.3
[M+Na]+ 372.04247 184.0
[M-H]- 348.04597 181.2
[M+NH4]+ 367.08707 188.5
[M+K]+ 388.01641 179.1
[M+H-H2O]+ 332.05051 165.4
[M+HCOO]- 394.05145 190.6
[M+CH3COO]- 408.06710 208.0
[M+Na-2H]- 370.02792 175.0
[M]+ 349.05270 175.2
[M]- 349.05380 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe