CID 6435295

2-(alpha-methyl-m-trifluoromethylphenethylamino)ethanol phenylpropenoate

Structural Information

Molecular Formula
C21H22F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H22F3NO2/c1-16(14-18-8-5-9-19(15-18)21(22,23)24)25-12-13-27-20(26)11-10-17-6-3-2-4-7-17/h2-11,15-16,25H,12-14H2,1H3/b11-10+
InChIKey
OAFCLYRZKSIFBA-ZHACJKMWSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16756 190.1
[M+Na]+ 400.14950 194.4
[M-H]- 376.15300 191.7
[M+NH4]+ 395.19410 201.2
[M+K]+ 416.12344 188.9
[M+H-H2O]+ 360.15754 178.7
[M+HCOO]- 422.15848 207.1
[M+CH3COO]- 436.17413 219.5
[M+Na-2H]- 398.13495 190.5
[M]+ 377.15973 187.3
[M]- 377.16083 187.3
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.