CID 136033769

Nkcfxxdwcqstgv-felsjdhzsa-j

Structural Information

Molecular Formula
C19H19N3O6S2
SMILES
CCS(=O)(=O)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=C2C(=CC=C3)NS(=O)(=O)C)O
InChI
InChI=1S/C19H19N3O6S2/c1-3-30(27,28)13-8-10-16(23)15(11-13)20-21-19-17(24)9-7-12-5-4-6-14(18(12)19)22-29(2,25)26/h4-11,22-24H,3H2,1-2H3
InChIKey
GHNYQVMYGAZWPT-UHFFFAOYSA-N
Compound name
N-[8-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.07153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.07881 199.9
[M+Na]+ 472.06075 206.8
[M-H]- 448.06425 206.4
[M+NH4]+ 467.10535 208.9
[M+K]+ 488.03469 201.1
[M+H-H2O]+ 432.06879 191.4
[M+HCOO]- 494.06973 212.8
[M+CH3COO]- 508.08538 233.4
[M+Na-2H]- 470.04620 207.6
[M]+ 449.07098 205.6
[M]- 449.07208 205.6
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.