CID 13394781

Benzeneethanamine, n-(2,2-dimethyl-1-oxopropoxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C17H24F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C(C)(C)C
InChI
InChI=1S/C17H24F3NO2/c1-6-21(23-15(22)16(3,4)5)12(2)10-13-8-7-9-14(11-13)17(18,19)20/h7-9,11-12H,6,10H2,1-5H3
InChIKey
WEBKUTLKZLUCCG-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1759 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18318 176.8
[M+Na]+ 354.16512 182.1
[M-H]- 330.16862 177.4
[M+NH4]+ 349.20972 191.3
[M+K]+ 370.13906 180.7
[M+H-H2O]+ 314.17316 167.8
[M+HCOO]- 376.17410 192.6
[M+CH3COO]- 390.18975 216.6
[M+Na-2H]- 352.15057 177.3
[M]+ 331.17535 176.6
[M]- 331.17645 176.6
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.