CID 18260

2,2-diphenyl-2-ethoxyacetic acid (2-(methylamino)ethyl) ester hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCNC
InChI
InChI=1S/C19H23NO3/c1-3-23-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20-2/h4-13,20H,3,14-15H2,1-2H3
InChIKey
WGNOOMBIYMTYPI-UHFFFAOYSA-N
Compound name
2-(methylamino)ethyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.8
[M+Na]+ 336.15702 179.6
[M-H]- 312.16052 181.5
[M+NH4]+ 331.20162 189.4
[M+K]+ 352.13096 176.6
[M+H-H2O]+ 296.16506 167.2
[M+HCOO]- 358.16600 197.8
[M+CH3COO]- 372.18165 207.7
[M+Na-2H]- 334.14247 181.2
[M]+ 313.16725 178.2
[M]- 313.16835 178.2
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.