CID 2825089

Ns00016618

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=NC=CS2

InChI

InChI=1S/C11H11N3O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-13-8-11-12-6-7-17-11/h2-8,14H,1H3

InChIKey

IVSUKUDJFRFLMZ-UHFFFAOYSA-N

Compound name

4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 281.02927 Da
Monoisotopic Mass: 2.2
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]+	282.036546	161.5
[M+Na]+	304.018488	170.8
[M-H]-	280.021994	168.6
[M+NH4]+	299.063093	178.6
[M+K]+	319.992428	165.5
[M+H-H2O]+	264.026530	154.2
[M+HCOO]-	326.027471	178.5
[M+CH3COO]-	340.043121	198.6
[M+Na-2H]-	302.003936	165.2
[M]+	281.02872142	164.8
[M]-	281.02981858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.