CID 5162450

2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid

Structural Information

Molecular Formula
C15H14N2O5
SMILES
COC1=CC(=CC(=C1O)OC)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)
InChIKey
OUUSCQGLQHBVJX-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.09027 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 165.1
[M+Na]+ 325.07949 172.9
[M-H]- 301.08299 172.8
[M+NH4]+ 320.12409 179.6
[M+K]+ 341.05343 171.4
[M+H-H2O]+ 285.08753 156.6
[M+HCOO]- 347.08847 191.5
[M+CH3COO]- 361.10412 209.1
[M+Na-2H]- 323.06494 169.6
[M]+ 302.08972 169.7
[M]- 302.09082 169.7
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