CID 172840

71566-29-5

Structural Information

Molecular Formula

C₁₉H₂₁N₅O₄S

SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)NC(C)C)O

InChI

InChI=1S/C19H21N5O4S/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)20-21-18-13(3)22-24(19(18)26)14-7-5-4-6-8-14/h4-12,22-23,25H,1-3H3

InChIKey

DKZKEGJEUZLXME-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 415.13144 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	416.138716	196.8
[M+Na]+	438.120658	204.6
[M-H]-	414.124164	205.4
[M+NH4]+	433.165263	205.9
[M+K]+	454.094598	199.2
[M+H-H2O]+	398.128700	187.4
[M+HCOO]-	460.129641	215.7
[M+CH3COO]-	474.145291	229.4
[M+Na-2H]-	436.106106	198.7
[M]+	415.13089142	200.5
[M]-	415.13198858	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.