CID 26435014

2,3,4-trimethoxyhippuric acid

Structural Information

Molecular Formula
C12H15NO6
SMILES
COC1=C(C(=C(C=C1)C(=O)NCC(=O)O)OC)OC
InChI
InChI=1S/C12H15NO6/c1-17-8-5-4-7(10(18-2)11(8)19-3)12(16)13-6-9(14)15/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
WIGPKROUXMWBRT-UHFFFAOYSA-N
Compound name
2-[(2,3,4-trimethoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.08994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.097216 156.2
[M+Na]+ 292.079158 163.2
[M-H]- 268.082664 158.9
[M+NH4]+ 287.123763 171.7
[M+K]+ 308.053098 163.1
[M+H-H2O]+ 252.087200 149.4
[M+HCOO]- 314.088141 178.9
[M+CH3COO]- 328.103791 198.4
[M+Na-2H]- 290.064606 158.3
[M]+ 269.08939142 161.6
[M]- 269.09048858 161.6
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