CID 18003

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

Structural Information

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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 198.6
[M+Na]+ 406.23525 199.9
[M-H]- 382.23875 204.8
[M+NH4]+ 401.27985 209.7
[M+K]+ 422.20919 197.9
[M+H-H2O]+ 366.24329 189.0
[M+HCOO]- 428.24423 218.2
[M+CH3COO]- 442.25988 226.6
[M+Na-2H]- 404.22070 199.3
[M]+ 383.24548 203.4
[M]- 383.24658 203.4
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.