CID 22419

Olsalazine

Structural Information

Molecular Formula
C14H10N2O6
SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)
InChIKey
QQBDLJCYGRGAKP-UHFFFAOYSA-N
Compound name
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

288
References

30384
Patents

302.0539 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.061176 162.6
[M+Na]+ 325.043118 169.7
[M-H]- 301.046624 167.7
[M+NH4]+ 320.087723 175.3
[M+K]+ 341.017058 167.6
[M+H-H2O]+ 285.051160 154.7
[M+HCOO]- 347.052101 185.7
[M+CH3COO]- 361.067751 204.4
[M+Na-2H]- 323.028566 165.6
[M]+ 302.05335142 163.3
[M]- 302.05444858 163.3
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