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]+ 382.16246 189.1
[M+Na]+ 404.14440 194.4
[M-H]- 380.14790 192.7
[M+NH4]+ 399.18900 200.9
[M+K]+ 420.11834 191.9
[M+H-H2O]+ 364.15244 177.7
[M+HCOO]- 426.15338 206.9
[M+CH3COO]- 440.16903 224.6
[M+Na-2H]- 402.12985 188.8
[M]+ 381.15463 189.9
[M]- 381.15573 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.