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]+ 269.149576 161.2
[M+Na]+ 291.131518 166.6
[M-H]- 267.135024 164.0
[M+NH4]+ 286.176123 176.9
[M+K]+ 307.105458 165.5
[M+H-H2O]+ 251.139560 153.5
[M+HCOO]- 313.140501 185.8
[M+CH3COO]- 327.156151 202.7
[M+Na-2H]- 289.116966 164.2
[M]+ 268.14175142 165.0
[M]- 268.14284858 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.