CID 55340

85467-32-9

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CNCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-2-23-19(22)20(17-11-7-4-8-12-17)13-18(20)15-21-14-16-9-5-3-6-10-16/h3-12,18,21H,2,13-15H2,1H3/t18-,20+/m1/s1
InChIKey
YDMMDBFDGRUUAQ-QUCCMNQESA-N
Compound name
ethyl (1R,2S)-2-[(benzylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 170.9
[M+Na]+ 332.16210 177.6
[M-H]- 308.16560 180.7
[M+NH4]+ 327.20670 182.2
[M+K]+ 348.13604 173.9
[M+H-H2O]+ 292.17014 163.0
[M+HCOO]- 354.17108 194.4
[M+CH3COO]- 368.18673 209.6
[M+Na-2H]- 330.14755 176.0
[M]+ 309.17233 174.7
[M]- 309.17343 174.7
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.