CID 17991

Acetic acid, 2,2-diphenyl-2-ethoxy-, (2-(n-ethyl-n-propylamino)ethyl) ester, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 194.3
[M+Na]+ 392.219618 196.4
[M-H]- 368.223124 200.6
[M+NH4]+ 387.264223 206.1
[M+K]+ 408.193558 193.9
[M+H-H2O]+ 352.227660 184.7
[M+HCOO]- 414.228601 215.3
[M+CH3COO]- 428.244251 222.9
[M+Na-2H]- 390.205066 196.7
[M]+ 369.22985142 199.3
[M]- 369.23094858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.