CID 33998

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

Structural Information

Molecular Formula
C27H31NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)CCC3=CC=CC=C3
InChI
InChI=1S/C27H31NO3/c1-3-31-27(24-15-9-5-10-16-24,25-17-11-6-12-18-25)26(29)30-22-21-28(2)20-19-23-13-7-4-8-14-23/h4-18H,3,19-22H2,1-2H3
InChIKey
LHXYWAMYRGXREP-UHFFFAOYSA-N
Compound name
2-[methyl(2-phenylethyl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2304 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.237676 205.9
[M+Na]+ 440.219618 207.2
[M-H]- 416.223124 214.9
[M+NH4]+ 435.264223 214.9
[M+K]+ 456.193558 203.5
[M+H-H2O]+ 400.227660 194.6
[M+HCOO]- 462.228601 226.6
[M+CH3COO]- 476.244251 230.5
[M+Na-2H]- 438.205066 208.7
[M]+ 417.22985142 209.2
[M]- 417.23094858 209.2
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.