CID 136125582

71767-18-5

Structural Information

Molecular Formula
C18H19N5O6S2
SMILES
CN(C)S(=O)(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)N)O
InChI
InChI=1S/C18H19N5O6S2/c1-23(2)31(28,29)22-13-5-3-4-11-6-8-16(25)18(17(11)13)21-20-14-10-12(30(19,26)27)7-9-15(14)24/h3-10,22,24-25H,1-2H3,(H2,19,26,27)
InChIKey
BQMDBRDWISTMHR-UHFFFAOYSA-N
Compound name
3-[[8-(dimethylsulfamoylamino)-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.07767 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.08495 199.8
[M+Na]+ 488.06689 206.6
[M+NH4]+ 483.11149 203.3
[M+K]+ 504.04083 201.0
[M-H]- 464.07039 202.8
[M+Na-2H]- 486.05234 205.6
[M]+ 465.07712 202.0
[M]- 465.07822 202.0
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.