CID 322335

Nsc279282

Structural Information

Molecular Formula
C23H19N5O5S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C23H19N5O5S/c1-16(29)26-34(32,33)20-14-12-17(13-15-20)24-25-21-22(30)27(18-8-4-2-5-9-18)28(23(21)31)19-10-6-3-7-11-19/h2-15,30H,1H3,(H,26,29)
InChIKey
UTSHUFYGEIUVJY-UHFFFAOYSA-N
Compound name
N-[4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

477.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.11798 211.6
[M+Na]+ 500.09992 219.2
[M-H]- 476.10342 224.4
[M+NH4]+ 495.14452 217.9
[M+K]+ 516.07386 213.8
[M+H-H2O]+ 460.10796 200.5
[M+HCOO]- 522.10890 232.1
[M+CH3COO]- 536.12455 240.4
[M+Na-2H]- 498.08537 214.8
[M]+ 477.11015 216.2
[M]- 477.11125 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.