CID 156599377

Cuprate(3-), (3-((2-(hydroxy-kappao)-4-hydroxy-3-((2-(hydroxy-kappao)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappan1)phenyl)azo)-1,5-naphthalenedisulfonato(5-))-, trisodium

Structural Information

Molecular Formula
C24H20N4O15S4
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)O)NN=C3C=CC(=O)C(=NNC4=C(C=CC(=C4)S(=O)(=O)CCOS(=O)(=O)O)O)C3=O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O15S4/c29-19-6-4-14(44(32,33)9-8-43-47(40,41)42)12-18(19)27-28-23-20(30)7-5-17(24(23)31)26-25-13-10-16-15(22(11-13)46(37,38)39)2-1-3-21(16)45(34,35)36/h1-7,10-12,25,27,29H,8-9H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey
ZLLPSNCKEPPHAM-UHFFFAOYSA-N
Compound name
3-[2-[5-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.9808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.98808 231.5
[M+Na]+ 754.97002 238.2
[M+NH4]+ 750.01462 235.4
[M+K]+ 770.94396 236.2
[M-H]- 730.97352 229.4
[M+Na-2H]- 752.95547 257.3
[M]+ 731.98025 233.5
[M]- 731.98135 233.5
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.