CID 135738688

Einecs 273-904-8

Structural Information

Molecular Formula
C17H18N4O5S
SMILES
C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=CC(=C2)S(=O)(=O)NC)O)/O
InChI
InChI=1S/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,22-23H,1-2H3,(H,19,24)/b16-11-,21-20?
InChIKey
SOTNWWNAKJFVMB-CRFWRNRFSA-N
Compound name
(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0998 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10708 187.2
[M+Na]+ 413.08902 190.5
[M-H]- 389.09252 193.3
[M+NH4]+ 408.13362 196.7
[M+K]+ 429.06296 187.4
[M+H-H2O]+ 373.09706 178.0
[M+HCOO]- 435.09800 206.2
[M+CH3COO]- 449.11365 225.8
[M+Na-2H]- 411.07447 190.3
[M]+ 390.09925 188.0
[M]- 390.10035 188.0
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.