CID 52732

73927-53-4

Structural Information

Molecular Formula
C22H26F3NO5
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H26F3NO5/c1-14(10-15-6-5-7-17(11-15)22(23,24)25)26-8-9-31-21(27)16-12-18(28-2)20(30-4)19(13-16)29-3/h5-7,11-14,26H,8-10H2,1-4H3
InChIKey
GZHNTHZSWBYEDJ-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18358 204.0
[M+Na]+ 464.16552 209.6
[M-H]- 440.16902 206.4
[M+NH4]+ 459.21012 213.0
[M+K]+ 480.13946 206.9
[M+H-H2O]+ 424.17356 192.2
[M+HCOO]- 486.17450 220.9
[M+CH3COO]- 500.19015 233.9
[M+Na-2H]- 462.15097 202.3
[M]+ 441.17575 207.8
[M]- 441.17685 207.8
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.