CID 366842

Nsc635818

Structural Information

Molecular Formula
C18H16N6O4S
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)NC(=O)N
InChI
InChI=1S/C18H16N6O4S/c19-18(26)21-16-11-13(25)6-9-15(16)23-22-12-4-7-14(8-5-12)29(27,28)24-17-3-1-2-10-20-17/h1-11,25H,(H,20,24)(H3,19,21,26)
InChIKey
FMEWCSJBOPKQFH-UHFFFAOYSA-N
Compound name
[5-hydroxy-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.09537 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.10265 190.1
[M+Na]+ 435.08459 195.4
[M-H]- 411.08809 199.4
[M+NH4]+ 430.12919 197.6
[M+K]+ 451.05853 190.7
[M+H-H2O]+ 395.09263 179.1
[M+HCOO]- 457.09357 212.5
[M+CH3COO]- 471.10922 233.4
[M+Na-2H]- 433.07004 197.6
[M]+ 412.09482 190.4
[M]- 412.09592 190.4
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.