CID 357240

Nsc615410

Structural Information

Molecular Formula
C15H12FN3O2S
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2F)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C15H12FN3O2S/c16-12-4-2-1-3-11(12)15-19(13(20)9-22-15)18-14(21)10-5-7-17-8-6-10/h1-8,15H,9H2,(H,18,21)
InChIKey
ARLZSYPHXCQPAS-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.06342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07070 169.4
[M+Na]+ 340.05264 177.5
[M-H]- 316.05614 175.7
[M+NH4]+ 335.09724 182.9
[M+K]+ 356.02658 172.0
[M+H-H2O]+ 300.06068 159.8
[M+HCOO]- 362.06162 185.1
[M+CH3COO]- 376.07727 180.0
[M+Na-2H]- 338.03809 168.9
[M]+ 317.06287 168.0
[M]- 317.06397 168.0
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

No patent data available for this compound.