CID 16683163

Nsc633496

Structural Information

Molecular Formula
C22H37NO3Sn
SMILES
CCCCCCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H5NO3.Sn/c2*1-3-5-7-8-6-4-2;8-5-4(6(9)10)2-1-3-7-5;/h2*1,3-8H2,2H3;1-3H,(H,7,8)(H,9,10);/q;;;+2/p-2
InChIKey
AITYHXKECSDIBE-UHFFFAOYSA-L
Compound name
2,2-dioctyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.17953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.18681 218.3
[M+Na]+ 506.16875 221.2
[M-H]- 482.17225 219.4
[M+NH4]+ 501.21335 228.2
[M+K]+ 522.14269 218.1
[M+H-H2O]+ 466.17679 208.0
[M+HCOO]- 528.17773 231.3
[M+CH3COO]- 542.19338 225.2
[M+Na-2H]- 504.15420 219.1
[M]+ 483.17898 225.2
[M]- 483.18008 225.2
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.