CID 44144825

1-naphthalenesulfonic acid, 4-((2,6-dihydroxy-3-((7-sulfo-1-naphthalenyl)azo)phenyl)azo)-, disodium salt

Structural Information

Molecular Formula
C26H18N4O8S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C(=O)C=C/C(=N\NC4=CC=CC5=C4C=C(C=C5)S(=O)(=O)O)/C3=O
InChI
InChI=1S/C26H18N4O8S2/c31-23-12-10-22(29-27-20-7-3-4-15-8-9-16(14-19(15)20)39(33,34)35)26(32)25(23)30-28-21-11-13-24(40(36,37)38)18-6-2-1-5-17(18)21/h1-14,27-28H,(H,33,34,35)(H,36,37,38)/b29-22+,30-25+
InChIKey
HLMNXSYQCUHIBI-VFQNUHPQSA-N
Compound name
4-[(2E)-2-[(5E)-2,6-dioxo-5-[(7-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-3-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.0566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.06388 223.6
[M+Na]+ 601.04582 235.6
[M+NH4]+ 596.09042 226.9
[M+K]+ 617.01976 226.9
[M-H]- 577.04932 228.9
[M+Na-2H]- 599.03127 233.1
[M]+ 578.05605 227.5
[M]- 578.05715 227.5
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.