CID 1112421

3,4,5-trimethoxy-n-[2-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C17H16F3NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H16F3NO4/c1-23-13-8-10(9-14(24-2)15(13)25-3)16(22)21-12-7-5-4-6-11(12)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKey
MNIFPHOECOYQDU-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.10315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11043 178.4
[M+Na]+ 378.09237 186.8
[M-H]- 354.09587 181.8
[M+NH4]+ 373.13697 191.2
[M+K]+ 394.06631 183.8
[M+H-H2O]+ 338.10041 167.7
[M+HCOO]- 400.10135 197.8
[M+CH3COO]- 414.11700 216.2
[M+Na-2H]- 376.07782 180.3
[M]+ 355.10260 179.7
[M]- 355.10370 179.7
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

No patent data available for this compound.