CID 526545

Diethylaminoethyl diphenylpropionate

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC)CCOC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKey
ASQMSRQTKSSVSW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 182.9
[M+Na]+ 348.19342 185.2
[M-H]- 324.19692 189.3
[M+NH4]+ 343.23802 196.4
[M+K]+ 364.16736 182.6
[M+H-H2O]+ 308.20146 173.4
[M+HCOO]- 370.20240 204.9
[M+CH3COO]- 384.21805 215.4
[M+Na-2H]- 346.17887 184.2
[M]+ 325.20365 185.6
[M]- 325.20475 185.6
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.