CID 3071642

138112-90-0

Structural Information

Molecular Formula
C21H18F3NO2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)C3=CC(=CC=C3)C(F)(F)F)C=C1
InChI
InChI=1S/C21H18F3NO2/c1-27-18-9-8-14-4-2-5-15(19(14)13-18)10-11-25-20(26)16-6-3-7-17(12-16)21(22,23)24/h2-9,12-13H,10-11H2,1H3,(H,25,26)
InChIKey
KUIVJRIIRBOPFB-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.12897 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13625 187.3
[M+Na]+ 396.11819 194.6
[M-H]- 372.12169 190.7
[M+NH4]+ 391.16279 199.9
[M+K]+ 412.09213 188.7
[M+H-H2O]+ 356.12623 175.9
[M+HCOO]- 418.12717 204.6
[M+CH3COO]- 432.14282 220.2
[M+Na-2H]- 394.10364 190.6
[M]+ 373.12842 185.5
[M]- 373.12952 185.5
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

patents stripe