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 161.2
[M+Na]+ 291.13152 166.6
[M-H]- 267.13502 164.0
[M+NH4]+ 286.17612 176.9
[M+K]+ 307.10546 165.5
[M+H-H2O]+ 251.13956 153.5
[M+HCOO]- 313.14050 185.8
[M+CH3COO]- 327.15615 202.7
[M+Na-2H]- 289.11697 164.2
[M]+ 268.14175 165.0
[M]- 268.14285 165.0
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.