CID 36750

34321-77-2

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCN(CC)CC(C)(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C21H27NO3/c1-4-22(5-2)17-21(3,18-12-8-6-9-13-18)25-20(23)16-24-19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
JFPPXZQXOGGEBS-UHFFFAOYSA-N
Compound name
[1-(diethylamino)-2-phenylpropan-2-yl] 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 185.1
[M+Na]+ 364.188318 188.1
[M-H]- 340.191824 191.8
[M+NH4]+ 359.232923 198.1
[M+K]+ 380.162258 186.0
[M+H-H2O]+ 324.196360 175.9
[M+HCOO]- 386.197301 206.8
[M+CH3COO]- 400.212951 217.0
[M+Na-2H]- 362.173766 188.6
[M]+ 341.19855142 189.4
[M]- 341.19964858 189.4
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.