CID 13887397

2-((ethoxycarbonyl)amino)-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C12H15NO6
SMILES
CCOC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C12H15NO6/c1-4-19-12(16)13-8-6-10(18-3)9(17-2)5-7(8)11(14)15/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
CAUPEEFJVZWMNO-UHFFFAOYSA-N
Compound name
2-(ethoxycarbonylamino)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

269.08994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09722 158.5
[M+Na]+ 292.07916 167.6
[M+NH4]+ 287.12376 163.0
[M+K]+ 308.05310 164.8
[M-H]- 268.08266 157.5
[M+Na-2H]- 290.06461 161.1
[M]+ 269.08939 159.0
[M]- 269.09049 159.0
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

patents stripe