CID 16427140

938181-92-1

Structural Information

Molecular Formula

C₁₇H₃₃NSSn

SMILES

CCCC[Sn](CCCC)(CCCC)C1=NC(=C(S1)C)C

InChI

InChI=1S/C5H6NS.3C4H9.Sn/c1-4-5(2)7-3-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;

InChIKey

QAPTXJNMSZQTDL-UHFFFAOYSA-N

Compound name

tributyl-(4,5-dimethyl-1,3-thiazol-2-yl)stannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 403.13556 Da
Monoisotopic Mass: None
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]+	404.14284	197.6
[M+Na]+	426.12478	203.0
[M-H]-	402.12828	198.4
[M+NH4]+	421.16938	213.9
[M+K]+	442.09872	198.0
[M+H-H2O]+	386.13282	189.8
[M+HCOO]-	448.13376	210.7
[M+CH3COO]-	462.14941	211.6
[M+Na-2H]-	424.11023	192.7
[M]+	403.13501	204.7
[M]-	403.13611	204.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe