CID 109521

68133-25-5

Structural Information

Molecular Formula
C13H18N2O6
SMILES
COCCOC(=O)CCNC1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C13H18N2O6/c1-19-7-8-21-13(16)5-6-14-11-9-10(15(17)18)3-4-12(11)20-2/h3-4,9,14H,5-8H2,1-2H3
InChIKey
DYSWWFSUVZDAHO-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(2-methoxy-5-nitroanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12378 165.8
[M+Na]+ 321.10572 170.6
[M-H]- 297.10922 169.1
[M+NH4]+ 316.15032 179.7
[M+K]+ 337.07966 166.0
[M+H-H2O]+ 281.11376 162.7
[M+HCOO]- 343.11470 191.1
[M+CH3COO]- 357.13035 199.2
[M+Na-2H]- 319.09117 171.1
[M]+ 298.11595 170.0
[M]- 298.11705 170.0
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.