CID 49864

Diethyl 2-aminoethyl-(p-methoxyphenyl)malonate hydrochloride

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

1
Patents

309.15762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 172.5
[M+Na]+ 332.14684 180.5
[M+NH4]+ 327.19144 177.0
[M+K]+ 348.12078 177.1
[M-H]- 308.15034 171.6
[M+Na-2H]- 330.13229 175.2
[M]+ 309.15707 173.0
[M]- 309.15817 173.0
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.