CID 52721

73927-42-1

Structural Information

Molecular Formula
C23H28F3NO2
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)OCCNC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C23H28F3NO2/c1-16(2)13-18-7-9-20(10-8-18)22(28)29-12-11-27-17(3)14-19-5-4-6-21(15-19)23(24,25)26/h4-10,15-17,27H,11-14H2,1-3H3
InChIKey
XFNKOEGGWOUCMI-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-(2-methylpropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2072 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21448 199.9
[M+Na]+ 430.19642 203.5
[M-H]- 406.19992 201.4
[M+NH4]+ 425.24102 209.9
[M+K]+ 446.17036 198.9
[M+H-H2O]+ 390.20446 188.4
[M+HCOO]- 452.20540 214.9
[M+CH3COO]- 466.22105 228.9
[M+Na-2H]- 428.18187 197.4
[M]+ 407.20665 198.4
[M]- 407.20775 198.4
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.