CID 108326

55217-95-3

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃S₂

SMILES

CN1C(=NC(=O)C2=CC=CC=C2)SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C10H10N4O3S2/c1-14-9(18-10(13-14)19(11,16)17)12-8(15)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,16,17)

InChIKey

UVRKUVNSKMUATC-UHFFFAOYSA-N

Compound name

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 298.01944 Da
Monoisotopic Mass: 1.8
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]+	299.02672	165.1
[M+Na]+	321.00866	175.2
[M-H]-	297.01216	170.9
[M+NH4]+	316.05326	180.0
[M+K]+	336.98260	170.0
[M+H-H2O]+	281.01670	157.8
[M+HCOO]-	343.01764	179.8
[M+CH3COO]-	357.03329	200.6
[M+Na-2H]-	318.99411	167.0
[M]+	298.01889	167.9
[M]-	298.01999	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe