CID 18565

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

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC
InChI
InChI=1S/C24H33NO3/c1-4-7-18-25(5-2)19-20-27-23(26)24(28-6-3,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,4-7,18-20H2,1-3H3
InChIKey
RLFZWQIOYLAGNQ-UHFFFAOYSA-N
Compound name
2-[butyl(ethyl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 197.8
[M+Na]+ 406.23525 208.5
[M+NH4]+ 401.27985 204.1
[M+K]+ 422.20919 200.9
[M-H]- 382.23875 201.5
[M+Na-2H]- 404.22070 205.0
[M]+ 383.24548 200.4
[M]- 383.24658 200.4
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.