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]+ 453.12428 204.7
[M+Na]+ 475.10622 210.8
[M-H]- 451.10972 212.0
[M+NH4]+ 470.15082 213.3
[M+K]+ 491.08016 202.7
[M+H-H2O]+ 435.11426 192.2
[M+HCOO]- 497.11520 217.3
[M+CH3COO]- 511.13085 212.2
[M+Na-2H]- 473.09167 203.0
[M]+ 452.11645 202.2
[M]- 452.11755 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.