CID 55170

N,2-diphenylglycine 2-(dimethylamino)ethyl ester maleate

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O2/c1-20(2)13-14-22-18(21)17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3
InChIKey
CYWXVOHXUMJRTK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-anilino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.5
[M+Na]+ 321.15734 175.3
[M-H]- 297.16084 179.5
[M+NH4]+ 316.20194 186.8
[M+K]+ 337.13128 173.4
[M+H-H2O]+ 281.16538 163.2
[M+HCOO]- 343.16632 196.6
[M+CH3COO]- 357.18197 211.5
[M+Na-2H]- 319.14279 175.9
[M]+ 298.16757 173.5
[M]- 298.16867 173.5
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.