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

3
Patents

380.17117 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17845 190.2
[M+Na]+ 403.16039 195.0
[M-H]- 379.16389 193.5
[M+NH4]+ 398.20499 201.8
[M+K]+ 419.13433 191.3
[M+H-H2O]+ 363.16843 178.4
[M+HCOO]- 425.16937 209.8
[M+CH3COO]- 439.18502 226.7
[M+Na-2H]- 401.14584 191.3
[M]+ 380.17062 189.4
[M]- 380.17172 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