CID 10385095

Mst-312

Structural Information

Molecular Formula
C20H16N2O6
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O
InChI
InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
InChIKey
MIQUEZGHEJGPJB-UHFFFAOYSA-N
Compound name
N-[3-[(2,3-dihydroxybenzoyl)amino]phenyl]-2,3-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

70
Patents

380.10083 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10811 185.7
[M+Na]+ 403.09005 190.8
[M-H]- 379.09355 191.0
[M+NH4]+ 398.13465 193.5
[M+K]+ 419.06399 186.8
[M+H-H2O]+ 363.09809 176.6
[M+HCOO]- 425.09903 204.6
[M+CH3COO]- 439.11468 216.2
[M+Na-2H]- 401.07550 186.7
[M]+ 380.10028 183.3
[M]- 380.10138 183.3
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