CID 52723

Brn 3012323

Structural Information

Molecular Formula
C23H22F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H22F3NO2/c1-16(14-17-6-4-9-19(15-17)23(24,25)26)27-12-13-29-22(28)21-11-5-8-18-7-2-3-10-20(18)21/h2-11,15-16,27H,12-14H2,1H3
InChIKey
KPMUZMZYFUDVBW-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16028 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16756 194.4
[M+Na]+ 424.14950 204.0
[M+NH4]+ 419.19410 199.4
[M+K]+ 440.12344 196.8
[M-H]- 400.15300 194.3
[M+Na-2H]- 422.13495 199.5
[M]+ 401.15973 195.6
[M]- 401.16083 195.6
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.