CID 106124

67907-13-5

Structural Information

Molecular Formula
C25H20N4O8S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C25H20N4O8S2/c1-17-2-13-23(14-3-17)39(35,36)37-22-11-8-20(9-12-22)28-27-19-6-4-18(5-7-19)26-24-15-10-21(29(30)31)16-25(24)38(32,33)34/h2-16,26H,1H3,(H,32,33,34)
InChIKey
FANVPMGEOZRVNG-UHFFFAOYSA-N
Compound name
2-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.07227 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.07955 218.1
[M+Na]+ 591.06149 229.6
[M+NH4]+ 586.10609 221.6
[M+K]+ 607.03543 223.9
[M-H]- 567.06499 225.6
[M+Na-2H]- 589.04694 229.3
[M]+ 568.07172 222.4
[M]- 568.07282 222.4
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.