CID 103264

65151-32-8

Structural Information

Molecular Formula
C26H18N4O14S4
SMILES
C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=CC(=C(C=C3O)O)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C26H18N4O14S4/c31-23-12-24(32)22(30-28-16-4-2-14-6-18(46(36,37)38)10-26(20(14)8-16)48(42,43)44)11-21(23)29-27-15-3-1-13-5-17(45(33,34)35)9-25(19(13)7-15)47(39,40)41/h1-12,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)
InChIKey
WABMIPLTDIMLQX-UHFFFAOYSA-N
Compound name
7-[[5-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

737.9702 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.97748 236.6
[M+Na]+ 760.95942 243.7
[M+NH4]+ 756.00402 240.7
[M+K]+ 776.93336 242.1
[M-H]- 736.96292 235.1
[M+Na-2H]- 758.94487 261.9
[M]+ 737.96965 238.9
[M]- 737.97075 238.9
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.