CID 13394784

N-ethyl-n-((2-methoxybenzoyl)oxy)-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C20H22F3NO3
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C20H22F3NO3/c1-4-24(27-19(25)17-10-5-6-11-18(17)26-3)14(2)12-15-8-7-9-16(13-15)20(21,22)23/h5-11,13-14H,4,12H2,1-3H3
InChIKey
ZELIGGZFSBDUNM-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.162456 189.1
[M+Na]+ 404.144398 194.4
[M-H]- 380.147904 192.7
[M+NH4]+ 399.189003 200.9
[M+K]+ 420.118338 191.9
[M+H-H2O]+ 364.152440 177.7
[M+HCOO]- 426.153381 206.9
[M+CH3COO]- 440.169031 224.6
[M+Na-2H]- 402.129846 188.8
[M]+ 381.15463142 189.9
[M]- 381.15572858 189.9
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.