CID 2804318

Tiadinil

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃OS

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=NS2)C)Cl

InChI

InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)

InChIKey

VJQYLJSMBWXGDV-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 21534
Patents: 267.02332 Da
Monoisotopic Mass: 3.0
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]+	268.03060	157.7
[M+Na]+	290.01254	171.1
[M+NH4]+	285.05714	165.9
[M+K]+	305.98648	164.1
[M-H]-	266.01604	160.9
[M+Na-2H]-	287.99799	164.6
[M]+	267.02277	161.2
[M]-	267.02387	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe