CID 19152

Acetic acid, 2,2-diphenyl-, 3-(diethylamino)propyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

325.2042 Da
Monoisotopic Mass

4.5
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

literature stripe

Patent stripe

patents stripe