CID 215239

35285-70-2

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H13N3O3S/c1-10-2-4-12(5-3-10)20(18,19)16-15-13(17)11-6-8-14-9-7-11/h2-9,16H,1H3,(H,15,17)

InChIKey

PSUJEUSCHQUVEU-UHFFFAOYSA-N

Compound name

N'-(4-methylphenyl)sulfonylpyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 291.06775 Da
Monoisotopic Mass: 1.3
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]+	292.075026	163.2
[M+Na]+	314.056968	170.1
[M-H]-	290.060474	168.7
[M+NH4]+	309.101573	176.7
[M+K]+	330.030908	165.8
[M+H-H2O]+	274.065010	154.8
[M+HCOO]-	336.065951	182.0
[M+CH3COO]-	350.081601	200.9
[M+Na-2H]-	312.042416	169.1
[M]+	291.06720142	164.3
[M]-	291.06829858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.