CID 215886

36653-74-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 185.6
[M+Na]+ 364.188318 188.8
[M-H]- 340.191824 192.4
[M+NH4]+ 359.232923 198.7
[M+K]+ 380.162258 186.8
[M+H-H2O]+ 324.196360 176.1
[M+HCOO]- 386.197301 207.8
[M+CH3COO]- 400.212951 218.6
[M+Na-2H]- 362.173766 186.2
[M]+ 341.19855142 190.2
[M]- 341.19964858 190.2
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.