CID 109522

68133-26-6

Structural Information

Molecular Formula
C13H20N2O4
SMILES
COCCOC(=O)CCNC1=C(C=CC(=C1)N)OC
InChI
InChI=1S/C13H20N2O4/c1-17-7-8-19-13(16)5-6-15-11-9-10(14)3-4-12(11)18-2/h3-4,9,15H,5-8,14H2,1-2H3
InChIKey
AZQGFJYXVUIQEN-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(5-amino-2-methoxyanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 162.0
[M+Na]+ 291.13152 170.8
[M+NH4]+ 286.17612 167.6
[M+K]+ 307.10546 166.0
[M-H]- 267.13502 163.1
[M+Na-2H]- 289.11697 165.8
[M]+ 268.14175 163.1
[M]- 268.14285 163.1
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.