CID 13394780

Benzeneethanamine, n-((ethoxycarbonyl)oxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C15H20F3NO3
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)OCC
InChI
InChI=1S/C15H20F3NO3/c1-4-19(22-14(20)21-5-2)11(3)9-12-7-6-8-13(10-12)15(16,17)18/h6-8,10-11H,4-5,9H2,1-3H3
InChIKey
QLMYCOONCSPTLH-UHFFFAOYSA-N
Compound name
ethyl [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13953 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.146806 172.5
[M+Na]+ 342.128748 178.0
[M-H]- 318.132254 173.0
[M+NH4]+ 337.173353 187.2
[M+K]+ 358.102688 177.1
[M+H-H2O]+ 302.136790 162.8
[M+HCOO]- 364.137731 190.7
[M+CH3COO]- 378.153381 212.2
[M+Na-2H]- 340.114196 172.9
[M]+ 319.13898142 173.5
[M]- 319.14007858 173.5
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.