CID 86222983

Thiacloprid-amide

Structural Information

Molecular Formula

C₁₀H₁₁ClN₄OS

SMILES

C1CSC(=NC(=O)N)N1CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)

InChIKey

LEZHOZPJYAQQNU-UHFFFAOYSA-N

Compound name

[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]urea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 23
Patents: 270.0342 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]+	271.04148	157.4
[M+Na]+	293.02342	167.8
[M+NH4]+	288.06802	165.1
[M+K]+	308.99736	161.6
[M-H]-	269.02692	160.5
[M+Na-2H]-	291.00887	163.0
[M]+	270.03365	160.1
[M]-	270.03475	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe