CID 112271

Dtxsid901341284

Structural Information

Molecular Formula
C24H17N3O5
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O
InChI
InChI=1S/C24H17N3O5/c28-20-11-10-15(23(30)25-16-7-2-1-3-8-16)13-19(20)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)24(31)32/h1-13,28-29H,(H,25,30)(H,31,32)
InChIKey
TUCQMRXIVBFFDG-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[2-hydroxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.11682 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12410 201.3
[M+Na]+ 450.10604 214.3
[M+NH4]+ 445.15064 206.7
[M+K]+ 466.07998 207.7
[M-H]- 426.10954 208.0
[M+Na-2H]- 448.09149 209.8
[M]+ 427.11627 204.8
[M]- 427.11737 204.8
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.