CID 17062

Direct orange 8

Structural Information

Molecular Formula
C29H21N5O6S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=CC(=C(C=C5)O)C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C29H21N5O6S/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37/h1-16,35H,30H2,(H,36,37)(H,38,39,40)
InChIKey
SWZNEKIDLOGZBL-UHFFFAOYSA-N
Compound name
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

567.1213 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.12858 229.8
[M+Na]+ 590.11052 242.2
[M+NH4]+ 585.15512 233.9
[M+K]+ 606.08446 233.9
[M-H]- 566.11402 239.1
[M+Na-2H]- 588.09597 240.6
[M]+ 567.12075 234.4
[M]- 567.12185 234.4
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.