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]+ 338.13625 177.1
[M+Na]+ 360.11819 184.1
[M-H]- 336.12169 178.6
[M+NH4]+ 355.16279 189.9
[M+K]+ 376.09213 178.6
[M+H-H2O]+ 320.12623 166.9
[M+HCOO]- 382.12717 194.4
[M+CH3COO]- 396.14282 211.2
[M+Na-2H]- 358.10364 178.5
[M]+ 337.12842 173.7
[M]- 337.12952 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.