CID 1970329

324070-09-9

Structural Information

Molecular Formula
C26H20F3N3OS
SMILES
C=CCN1C(=C(SC1=NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H20F3N3OS/c1-2-16-32-22(18-10-5-3-6-11-18)24(31-23(33)19-12-7-4-8-13-19)34-25(32)30-21-15-9-14-20(17-21)26(27,28)29/h2-15,17H,1,16H2,(H,31,33)
InChIKey
BOMRPPVYTSNLMT-UHFFFAOYSA-N
Compound name
N-[4-phenyl-3-prop-2-enyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.12793 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.13521 214.0
[M+Na]+ 502.11715 221.8
[M-H]- 478.12065 223.1
[M+NH4]+ 497.16175 222.4
[M+K]+ 518.09109 212.6
[M+H-H2O]+ 462.12519 200.8
[M+HCOO]- 524.12613 229.9
[M+CH3COO]- 538.14178 239.2
[M+Na-2H]- 500.10260 212.4
[M]+ 479.12738 212.8
[M]- 479.12848 212.8
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.