CID 16683167

Nsc633501

Structural Information

Molecular Formula
C14H23NO4SSn
SMILES
CCCC[Sn]1(OC(S(=O)(=O)O1)C2=CC=CC=N2)CCCC
InChI
InChI=1S/C6H6NO4S.2C4H9.Sn/c8-6(12(9,10)11)5-3-1-2-4-7-5;2*1-3-4-2;/h1-4,6H,(H,9,10,11);2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
IQIDREHHBOIYBU-UHFFFAOYSA-M
Compound name
2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.037 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04428 186.4
[M+Na]+ 444.02622 194.0
[M-H]- 420.02972 192.3
[M+NH4]+ 439.07082 202.4
[M+K]+ 460.00016 192.8
[M+H-H2O]+ 404.03426 179.9
[M+HCOO]- 466.03520 200.6
[M+CH3COO]- 480.05085 204.4
[M+Na-2H]- 442.01167 188.1
[M]+ 421.03645 193.7
[M]- 421.03755 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.