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]+ 384.253306 198.9
[M+Na]+ 406.235248 200.5
[M-H]- 382.238754 204.9
[M+NH4]+ 401.279853 210.1
[M+K]+ 422.209188 197.8
[M+H-H2O]+ 366.243290 189.0
[M+HCOO]- 428.244231 219.5
[M+CH3COO]- 442.259881 225.8
[M+Na-2H]- 404.220696 200.7
[M]+ 383.24548142 204.2
[M]- 383.24657858 204.2
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.