CID 52727

Brn 3014186

Structural Information

Molecular Formula
C22H26F3NO2
SMILES
CCC(C1=CC=CC=C1)C(=O)OCCNC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C22H26F3NO2/c1-3-20(18-9-5-4-6-10-18)21(27)28-13-12-26-16(2)14-17-8-7-11-19(15-17)22(23,24)25/h4-11,15-16,20,26H,3,12-14H2,1-2H3
InChIKey
SFLOQLSFUISNOV-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.19156 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19884 195.5
[M+Na]+ 416.18078 198.7
[M-H]- 392.18428 196.9
[M+NH4]+ 411.22538 205.8
[M+K]+ 432.15472 194.1
[M+H-H2O]+ 376.18882 184.0
[M+HCOO]- 438.18976 210.9
[M+CH3COO]- 452.20541 224.7
[M+Na-2H]- 414.16623 194.2
[M]+ 393.19101 193.2
[M]- 393.19211 193.2
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.