CID 16689671

27515-11-3

Structural Information

Molecular Formula

C₁₇H₃₆NOSSn₂

SMILES

CCCC[Sn](CCCC)O[Sn](CCCC)(CCCC)N=C=S

InChI

InChI=1S/4C4H9.CNS.O.2Sn/c4*1-3-4-2;2-1-3;;;/h4*1,3-4H2,2H3;;;;/q;;;;-1;;;+1

InChIKey

JMRBHRSKTLYESY-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 542.05615 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]+	543.06343	228.9
[M+Na]+	565.04537	229.2
[M-H]-	541.04887	226.8
[M+NH4]+	560.08997	241.8
[M+K]+	581.01931	224.2
[M+H-H2O]+	525.05341	219.3
[M+HCOO]-	587.05435	241.2
[M+CH3COO]-	601.07000	226.1
[M+Na-2H]-	563.03082	222.1
[M]+	542.05560	237.1
[M]-	542.05670	237.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.