CID 165135

Direct scarlet b

Structural Information

Molecular Formula
C30H24N4O8S2
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C30H24N4O8S2/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41)
InChIKey
WFDQLHCSKAIOER-UHFFFAOYSA-N
Compound name
8-[[4-[4-[(4-ethoxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

481
Patents

632.1036 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.11088 239.5
[M+Na]+ 655.09282 251.2
[M+NH4]+ 650.13742 242.7
[M+K]+ 671.06676 241.9
[M-H]- 631.09632 246.9
[M+Na-2H]- 653.07827 250.4
[M]+ 632.10305 244.0
[M]- 632.10415 244.0
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

patents stripe