CID 2435457

735335-61-2

Structural Information

Molecular Formula
C15H15FN2O4S
SMILES
CCOC(=O)/C=C\1/N(C(=O)CS1)CC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C15H15FN2O4S/c1-2-22-15(21)7-14-18(13(20)9-23-14)8-12(19)17-11-5-3-4-10(16)6-11/h3-7H,2,8-9H2,1H3,(H,17,19)/b14-7-
InChIKey
RDUWJGPIUSVVRO-AUWJEWJLSA-N
Compound name
ethyl (2Z)-2-[3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.07367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08095 176.0
[M+Na]+ 361.06289 182.3
[M-H]- 337.06639 180.0
[M+NH4]+ 356.10749 190.1
[M+K]+ 377.03683 178.3
[M+H-H2O]+ 321.07093 167.7
[M+HCOO]- 383.07187 191.1
[M+CH3COO]- 397.08752 207.8
[M+Na-2H]- 359.04834 172.5
[M]+ 338.07312 177.2
[M]- 338.07422 177.2
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

No patent data available for this compound.