CID 105993

Einecs 267-599-0

Structural Information

Molecular Formula
C17H16N4O6S2
SMILES
CS(=O)(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=C(C=C3)S(=O)(=O)N)O
InChI
InChI=1S/C17H16N4O6S2/c1-28(24,25)21-13-4-2-3-10-5-8-14(22)17(16(10)13)20-19-12-7-6-11(9-15(12)23)29(18,26)27/h2-9,21-23H,1H3,(H2,18,26,27)
InChIKey
XRGSXTJQRFQENP-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[2-hydroxy-8-(methanesulfonamido)naphthalen-1-yl]diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.05112 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.05840 193.8
[M+Na]+ 459.04034 200.6
[M-H]- 435.04384 199.8
[M+NH4]+ 454.08494 202.7
[M+K]+ 475.01428 195.0
[M+H-H2O]+ 419.04838 185.3
[M+HCOO]- 481.04932 207.6
[M+CH3COO]- 495.06497 232.8
[M+Na-2H]- 457.02579 202.5
[M]+ 436.05057 197.2
[M]- 436.05167 197.2
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.