CID 4554210

Ethyl n-(3,4-dimethoxybenzoyl)glycinate

Structural Information

Molecular Formula
C13H17NO5
SMILES
CCOC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-6-10(17-2)11(7-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKey
LCRCQDNFFMNPGM-UHFFFAOYSA-N
Compound name
ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

267.1107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 158.8
[M+Na]+ 290.09992 165.2
[M-H]- 266.10342 162.4
[M+NH4]+ 285.14452 175.1
[M+K]+ 306.07386 165.0
[M+H-H2O]+ 250.10796 151.7
[M+HCOO]- 312.10890 182.5
[M+CH3COO]- 326.12455 199.6
[M+Na-2H]- 288.08537 161.4
[M]+ 267.11015 164.5
[M]- 267.11125 164.5
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

patents stripe