CID 112271

69278-95-1

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 197.5
[M+Na]+ 450.10604 202.8
[M-H]- 426.10954 207.0
[M+NH4]+ 445.15064 205.6
[M+K]+ 466.07998 198.8
[M+H-H2O]+ 410.11408 186.7
[M+HCOO]- 472.11502 219.9
[M+CH3COO]- 486.13067 234.4
[M+Na-2H]- 448.09149 201.7
[M]+ 427.11627 197.7
[M]- 427.11737 197.7
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.