CID 3040663

Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23F3N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C20H23F3N2O2/c1-3-25(4-2)12-13-27-19(26)17-10-5-6-11-18(17)24-16-9-7-8-15(14-16)20(21,22)23/h5-11,14,24H,3-4,12-13H2,1-2H3
InChIKey
VTNDVIHMSKSJRF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

380.17117 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.178446 190.2
[M+Na]+ 403.160388 195.0
[M-H]- 379.163894 193.5
[M+NH4]+ 398.204993 201.8
[M+K]+ 419.134328 191.3
[M+H-H2O]+ 363.168430 178.4
[M+HCOO]- 425.169371 209.8
[M+CH3COO]- 439.185021 226.7
[M+Na-2H]- 401.145836 191.3
[M]+ 380.17062142 189.4
[M]- 380.17171858 189.4
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

patents stripe