CID 166420

73309-47-4

Structural Information

Molecular Formula
C26H18N4O8S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=CC(=C(C=C3O)O)N=NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O
InChI
InChI=1S/C26H18N4O8S2/c31-23-14-24(32)22(30-28-20-10-12-26(40(36,37)38)18-8-4-2-6-16(18)20)13-21(23)29-27-19-9-11-25(39(33,34)35)17-7-3-1-5-15(17)19/h1-14,31-32H,(H,33,34,35)(H,36,37,38)
InChIKey
XFIQFEDFFJNMAM-UHFFFAOYSA-N
Compound name
4-[[2,4-dihydroxy-5-[(4-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.0566 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.06388 226.4
[M+Na]+ 601.04582 232.9
[M-H]- 577.04932 236.2
[M+NH4]+ 596.09042 229.9
[M+K]+ 617.01976 228.6
[M+H-H2O]+ 561.05386 215.8
[M+HCOO]- 623.05480 240.3
[M+CH3COO]- 637.07045 259.1
[M+Na-2H]- 599.03127 239.8
[M]+ 578.05605 233.8
[M]- 578.05715 233.8
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.