CID 52718

73927-39-6

Structural Information

Molecular Formula
C23H26F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C(C2CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H26F3NO2/c1-16(14-17-6-5-9-20(15-17)23(24,25)26)27-12-13-29-22(28)21(19-10-11-19)18-7-3-2-4-8-18/h2-9,15-16,19,21,27H,10-14H2,1H3
InChIKey
UCMVOISDLBVROC-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-cyclopropyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.19156 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19884 184.8
[M+Na]+ 428.18078 189.2
[M-H]- 404.18428 189.8
[M+NH4]+ 423.22538 190.1
[M+K]+ 444.15472 184.0
[M+H-H2O]+ 388.18882 173.6
[M+HCOO]- 450.18976 201.1
[M+CH3COO]- 464.20541 227.4
[M+Na-2H]- 426.16623 184.7
[M]+ 405.19101 184.4
[M]- 405.19211 184.4
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.