CID 135441318

301687-70-7

Structural Information

Molecular Formula
C17H13F3N2OS
SMILES
C1=CC=C(C=C1)N=C2NC(=O)C(S2)CC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H13F3N2OS/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)22-16(24-14)21-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,21,22,23)
InChIKey
DXTMCFZBFJNDOP-UHFFFAOYSA-N
Compound name
2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

350.07007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07735 180.0
[M+Na]+ 373.05929 188.9
[M+NH4]+ 368.10389 185.4
[M+K]+ 389.03323 182.0
[M-H]- 349.06279 180.3
[M+Na-2H]- 371.04474 185.4
[M]+ 350.06952 181.4
[M]- 350.07062 181.4
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

patents stripe