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
cis-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]+ 310.180156 170.9
[M+Na]+ 332.162098 177.6
[M-H]- 308.165604 180.7
[M+NH4]+ 327.206703 182.2
[M+K]+ 348.136038 173.9
[M+H-H2O]+ 292.170140 163.0
[M+HCOO]- 354.171081 194.4
[M+CH3COO]- 368.186731 209.6
[M+Na-2H]- 330.147546 176.0
[M]+ 309.17233142 174.7
[M]- 309.17342858 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.