CID 3060975

Benzamide, 5-butyl-2-hydroxy-n-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C18H18F3NO2
SMILES
CCCCC1=CC(=C(C=C1)O)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H18F3NO2/c1-2-3-5-12-8-9-16(23)15(10-12)17(24)22-14-7-4-6-13(11-14)18(19,20)21/h4,6-11,23H,2-3,5H2,1H3,(H,22,24)
InChIKey
NUVRXXIKUYEYFQ-UHFFFAOYSA-N
Compound name
5-butyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

337.12897 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.136246 177.1
[M+Na]+ 360.118188 184.1
[M-H]- 336.121694 178.6
[M+NH4]+ 355.162793 189.9
[M+K]+ 376.092128 178.6
[M+H-H2O]+ 320.126230 166.9
[M+HCOO]- 382.127171 194.4
[M+CH3COO]- 396.142821 211.2
[M+Na-2H]- 358.103636 178.5
[M]+ 337.12842142 173.7
[M]- 337.12951858 173.7
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

patents stripe