CID 3033711

85467-54-5

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3/t20-,22+/m1/s1
InChIKey
DDXXSYJRADXEJP-IRLDBZIGSA-N
Compound name
ethyl (1R,2S)-2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 180.2
[M+Na]+ 360.19342 186.1
[M-H]- 336.19692 190.9
[M+NH4]+ 355.23802 190.9
[M+K]+ 376.16736 183.3
[M+H-H2O]+ 320.20146 171.7
[M+HCOO]- 382.20240 203.4
[M+CH3COO]- 396.21805 218.4
[M+Na-2H]- 358.17887 183.4
[M]+ 337.20365 185.7
[M]- 337.20475 185.7
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.