CID 56841849

5850-05-5

Structural Information

Molecular Formula
C26H20N6O6S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=CC(=C(C=C3N)N)N=NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O
InChI
InChI=1S/C26H20N6O6S2/c27-19-13-20(28)24(32-30-22-10-12-26(40(36,37)38)18-8-4-2-6-16(18)22)14-23(19)31-29-21-9-11-25(39(33,34)35)17-7-3-1-5-15(17)21/h1-14H,27-28H2,(H,33,34,35)(H,36,37,38)
InChIKey
CVXHDNJKGGEUDF-UHFFFAOYSA-N
Compound name
4-[[2,4-diamino-5-[(4-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.08856 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.09584 224.2
[M+Na]+ 599.07778 235.2
[M+NH4]+ 594.12238 228.4
[M+K]+ 615.05172 226.3
[M-H]- 575.08128 231.8
[M+Na-2H]- 597.06323 234.4
[M]+ 576.08801 228.6
[M]- 576.08911 228.6
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.