CID 1183095

2-phenoxy-n-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C19H15F3N2O2S
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H15F3N2O2S/c20-19(21,22)14-6-4-5-13(9-14)10-16-11-23-18(27-16)24-17(25)12-26-15-7-2-1-3-8-15/h1-9,11H,10,12H2,(H,23,24,25)
InChIKey
LHXSFYBZMLQMGB-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.08063 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08791 187.4
[M+Na]+ 415.06985 194.9
[M-H]- 391.07335 192.2
[M+NH4]+ 410.11445 199.0
[M+K]+ 431.04379 188.6
[M+H-H2O]+ 375.07789 176.0
[M+HCOO]- 437.07883 201.9
[M+CH3COO]- 451.09448 217.2
[M+Na-2H]- 413.05530 187.3
[M]+ 392.08008 187.2
[M]- 392.08118 187.2
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.