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]+ 270.097216 156.4
[M+Na]+ 292.079158 163.6
[M-H]- 268.082664 159.2
[M+NH4]+ 287.123763 172.1
[M+K]+ 308.053098 163.4
[M+H-H2O]+ 252.087200 149.7
[M+HCOO]- 314.088141 179.1
[M+CH3COO]- 328.103791 197.8
[M+Na-2H]- 290.064606 158.6
[M]+ 269.08939142 161.8
[M]- 269.09048858 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe