CID 16131

Brn 2165567

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)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
SXKHPSYRYFKZHD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 185.1
[M+Na]+ 364.18832 188.1
[M-H]- 340.19182 191.8
[M+NH4]+ 359.23292 198.1
[M+K]+ 380.16226 186.0
[M+H-H2O]+ 324.19636 175.9
[M+HCOO]- 386.19730 206.8
[M+CH3COO]- 400.21295 217.0
[M+Na-2H]- 362.17377 188.6
[M]+ 341.19855 189.4
[M]- 341.19965 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

literature stripe

Patent stripe

No patent data available for this compound.