CID 16683169

Nsc633503

Structural Information

Molecular Formula
C22H37NO2SSn
SMILES
CCCCCCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H5NO2S.Sn/c2*1-3-5-7-8-6-4-2;8-6(9)4-2-1-3-7-5(4)10;/h2*1,3-8H2,2H3;1-3H,(H,7,10)(H,8,9);/q;;;+2/p-2
InChIKey
VCDURKJFKAVGPI-UHFFFAOYSA-L
Compound name
2,2-dioctyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.1567 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.16398 216.7
[M+Na]+ 522.14592 219.5
[M-H]- 498.14942 217.1
[M+NH4]+ 517.19052 228.0
[M+K]+ 538.11986 214.3
[M+H-H2O]+ 482.15396 207.1
[M+HCOO]- 544.15490 225.7
[M+CH3COO]- 558.17055 226.4
[M+Na-2H]- 520.13137 214.9
[M]+ 499.15615 223.8
[M]- 499.15725 223.8
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.