CID 151183

213252-19-8

Structural Information

Molecular Formula
C20H17F3N2O4S
SMILES
COC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
InChIKey
NFFXEUUOMTXWCX-UHFFFAOYSA-N
Compound name
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

4433
Patents

438.08612 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.093396 198.5
[M+Na]+ 461.075338 205.4
[M-H]- 437.078844 201.9
[M+NH4]+ 456.119943 207.7
[M+K]+ 477.049278 198.9
[M+H-H2O]+ 421.083380 187.9
[M+HCOO]- 483.084321 208.9
[M+CH3COO]- 497.099971 225.2
[M+Na-2H]- 459.060786 194.6
[M]+ 438.08557142 196.7
[M]- 438.08666858 196.7
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