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]+ 342.20638 185.6
[M+Na]+ 364.18832 188.8
[M-H]- 340.19182 192.4
[M+NH4]+ 359.23292 198.7
[M+K]+ 380.16226 186.8
[M+H-H2O]+ 324.19636 176.1
[M+HCOO]- 386.19730 207.8
[M+CH3COO]- 400.21295 218.6
[M+Na-2H]- 362.17377 186.2
[M]+ 341.19855 190.2
[M]- 341.19965 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.