CID 33998

Ethoxydiphenylacetic acid 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]+ 418.23768 205.9
[M+Na]+ 440.21962 207.2
[M-H]- 416.22312 214.9
[M+NH4]+ 435.26422 214.9
[M+K]+ 456.19356 203.5
[M+H-H2O]+ 400.22766 194.6
[M+HCOO]- 462.22860 226.6
[M+CH3COO]- 476.24425 230.5
[M+Na-2H]- 438.20507 208.7
[M]+ 417.22985 209.2
[M]- 417.23095 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.