CID 13394788

N-((2,6-diethoxybenzoyl)oxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C23H28F3NO4
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=C(C=CC=C2OCC)OCC
InChI
InChI=1S/C23H28F3NO4/c1-5-27(16(4)14-17-10-8-11-18(15-17)23(24,25)26)31-22(28)21-19(29-6-2)12-9-13-20(21)30-7-3/h8-13,15-16H,5-7,14H2,1-4H3
InChIKey
AHLFSJZTAPVBBN-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,6-diethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.19705 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20433 205.8
[M+Na]+ 462.18627 210.5
[M-H]- 438.18977 209.1
[M+NH4]+ 457.23087 215.3
[M+K]+ 478.16021 208.1
[M+H-H2O]+ 422.19431 193.8
[M+HCOO]- 484.19525 222.7
[M+CH3COO]- 498.21090 236.6
[M+Na-2H]- 460.17172 203.3
[M]+ 439.19650 209.4
[M]- 439.19760 209.4
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.