CID 1556525

292056-83-8

Structural Information

Molecular Formula
C25H19F3N2OS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C25H19F3N2OS/c26-25(27,28)20-13-7-8-17(14-20)15-21-16-29-24(32-21)30-23(31)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,16,22H,15H2,(H,29,30,31)
InChIKey
JXDPAVMAZJQABK-UHFFFAOYSA-N
Compound name
2,2-diphenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.117 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.124276 204.7
[M+Na]+ 475.106218 210.8
[M-H]- 451.109724 212.0
[M+NH4]+ 470.150823 213.3
[M+K]+ 491.080158 202.7
[M+H-H2O]+ 435.114260 192.2
[M+HCOO]- 497.115201 217.3
[M+CH3COO]- 511.130851 212.2
[M+Na-2H]- 473.091666 203.0
[M]+ 452.11645142 202.2
[M]- 452.11754858 202.2
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

No patent data available for this compound.