CID 22685

6281-93-2

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

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

InChI

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

InChIKey

QBSUOPKQEBOXDF-UHFFFAOYSA-N

Compound name

N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
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]+	292.07503	162.9
[M+Na]+	314.05697	173.9
[M+NH4]+	309.10157	169.1
[M+K]+	330.03091	167.0
[M-H]-	290.06047	165.7
[M+Na-2H]-	312.04242	170.8
[M]+	291.06720	165.4
[M]-	291.06830	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe