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]+ 320.14681 172.5
[M+Na]+ 342.12875 178.0
[M-H]- 318.13225 173.0
[M+NH4]+ 337.17335 187.2
[M+K]+ 358.10269 177.1
[M+H-H2O]+ 302.13679 162.8
[M+HCOO]- 364.13773 190.7
[M+CH3COO]- 378.15338 212.2
[M+Na-2H]- 340.11420 172.9
[M]+ 319.13898 173.5
[M]- 319.14008 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.