CID 16774463

926264-77-9

Structural Information

Molecular Formula
C16H15NO6
SMILES
COC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O)OC
InChI
InChI=1S/C16H15NO6/c1-22-11-5-9(6-12(8-11)23-2)15(19)17-10-3-4-14(18)13(7-10)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKey
VHQWYZLUFWOMBU-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09722 169.0
[M+Na]+ 340.07916 175.9
[M-H]- 316.08266 173.8
[M+NH4]+ 335.12376 181.6
[M+K]+ 356.05310 173.8
[M+H-H2O]+ 300.08720 161.2
[M+HCOO]- 362.08814 190.2
[M+CH3COO]- 376.10379 205.5
[M+Na-2H]- 338.06461 170.5
[M]+ 317.08939 171.8
[M]- 317.09049 171.8
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.