CID 213993

Brn 2792178

Structural Information

Molecular Formula
C22H25F3N2O4
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C22H25F3N2O4/c1-3-27(4-2)12-13-30-21(29)16-8-10-18(11-9-16)26-20(28)15-31-19-7-5-6-17(14-19)22(23,24)25/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,26,28)
InChIKey
JZUQGYNIZDBECD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.17664 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18392 203.8
[M+Na]+ 461.16586 207.4
[M-H]- 437.16936 206.9
[M+NH4]+ 456.21046 212.7
[M+K]+ 477.13980 204.7
[M+H-H2O]+ 421.17390 191.4
[M+HCOO]- 483.17484 222.3
[M+CH3COO]- 497.19049 236.2
[M+Na-2H]- 459.15131 203.1
[M]+ 438.17609 205.1
[M]- 438.17719 205.1
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.