CID 49864

67465-32-1

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCOC(=O)C(CCN)(C1=CC=C(C=C1)OC)C(=O)OCC
InChI
InChI=1S/C16H23NO5/c1-4-21-14(18)16(10-11-17,15(19)22-5-2)12-6-8-13(20-3)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKey
HMEQOHNOGZQOLB-UHFFFAOYSA-N
Compound name
diethyl 2-(2-aminoethyl)-2-(4-methoxyphenyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.15762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 173.3
[M+Na]+ 332.146838 177.9
[M-H]- 308.150344 175.8
[M+NH4]+ 327.191443 187.4
[M+K]+ 348.120778 177.1
[M+H-H2O]+ 292.154880 166.1
[M+HCOO]- 354.155821 193.8
[M+CH3COO]- 368.171471 207.1
[M+Na-2H]- 330.132286 175.0
[M]+ 309.15707142 178.2
[M]- 309.15816858 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.