CID 135571026

Dtxsid80889557

Structural Information

Molecular Formula
C30H20N4O13S4
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=CC(=C5)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C30H20N4O13S4/c35-30-28(51(45,46)47)14-17-12-19(49(39,40)41)6-8-22(17)29(30)34-32-26-10-9-25(23-3-1-2-4-24(23)26)31-33-27-15-20(50(42,43)44)13-16-11-18(48(36,37)38)5-7-21(16)27/h1-15,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKey
UZRWQHVBYPPTSW-UHFFFAOYSA-N
Compound name
4-[[4-[(3,6-disulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

771.99097 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 772.99825 255.9
[M+Na]+ 794.98019 270.5
[M-H]- 770.98369 260.1
[M+NH4]+ 790.02479 263.1
[M+K]+ 810.95413 256.7
[M+H-H2O]+ 754.98823 244.1
[M+HCOO]- 816.98917 264.3
[M+CH3COO]- 831.00482 267.3
[M+Na-2H]- 792.96564 275.7
[M]+ 771.99042 295.8
[M]- 771.99152 295.8
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.