CID 17661

2,2-diphenyl-2-ethoxyacetic acid (3-(diethylamino)propyl) ester hydrochloride

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC
InChI
InChI=1S/C23H31NO3/c1-4-24(5-2)18-13-19-26-22(25)23(27-6-3,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,4-6,13,18-19H2,1-3H3
InChIKey
RWRUUZFOYYRACJ-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

369.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 194.3
[M+Na]+ 392.21962 196.4
[M-H]- 368.22312 200.6
[M+NH4]+ 387.26422 206.1
[M+K]+ 408.19356 193.9
[M+H-H2O]+ 352.22766 184.7
[M+HCOO]- 414.22860 215.3
[M+CH3COO]- 428.24425 222.9
[M+Na-2H]- 390.20507 196.7
[M]+ 369.22985 199.3
[M]- 369.23095 199.3
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