CID 135956891

66104-83-4

Structural Information

Molecular Formula
C16H16N4O5S
SMILES
C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=C(C=C2)S(=O)(=O)N)O)/O
InChI
InChI=1S/C16H16N4O5S/c1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-8-7-12(9-14(13)22)26(17,24)25/h2-9,21-22H,1H3,(H,18,23)(H2,17,24,25)/b15-10-,20-19?
InChIKey
IDKQMZUVQLRMBQ-BOKMQSFHSA-N
Compound name
(Z)-3-hydroxy-2-[(2-hydroxy-4-sulfamoylphenyl)diazenyl]-N-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09142 183.2
[M+Na]+ 399.07336 187.0
[M-H]- 375.07686 189.0
[M+NH4]+ 394.11796 193.0
[M+K]+ 415.04730 183.8
[M+H-H2O]+ 359.08140 174.2
[M+HCOO]- 421.08234 201.9
[M+CH3COO]- 435.09799 222.4
[M+Na-2H]- 397.05881 185.8
[M]+ 376.08359 182.7
[M]- 376.08469 182.7
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.