CID 136058643

Dtxsid501340484

Structural Information

Molecular Formula
C20H20N4O6S
SMILES
CCNS(=O)(=O)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=C2C(=CC=C3)NC(=O)OC)O
InChI
InChI=1S/C20H20N4O6S/c1-3-21-31(28,29)13-8-10-16(25)15(11-13)23-24-19-17(26)9-7-12-5-4-6-14(18(12)19)22-20(27)30-2/h4-11,21,25-26H,3H2,1-2H3,(H,22,27)
InChIKey
VWSINZUSZIUPSV-UHFFFAOYSA-N
Compound name
methyl N-[8-[[5-(ethylsulfamoyl)-2-hydroxyphenyl]diazenyl]-7-hydroxynaphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.11035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11763 198.3
[M+Na]+ 467.09957 203.9
[M-H]- 443.10307 205.7
[M+NH4]+ 462.14417 207.3
[M+K]+ 483.07351 200.7
[M+H-H2O]+ 427.10761 188.8
[M+HCOO]- 489.10855 217.9
[M+CH3COO]- 503.12420 238.0
[M+Na-2H]- 465.08502 204.6
[M]+ 444.10980 203.7
[M]- 444.11090 203.7
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.