CID 16683164

Nsc633497

Structural Information

Molecular Formula
C15H25NO2Sn
SMILES
CCCC[Sn]1(OCC2=C(O1)C=CC(=N2)C)CCCC
InChI
InChI=1S/C7H8NO2.2C4H9.Sn/c1-5-2-3-7(10)6(4-9)8-5;2*1-3-4-2;/h2-3,10H,4H2,1H3;2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
PKONRJBNSRZWNS-UHFFFAOYSA-M
Compound name
2,2-dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09801 184.8
[M+Na]+ 394.07995 190.7
[M-H]- 370.08345 187.5
[M+NH4]+ 389.12455 199.7
[M+K]+ 410.05389 189.3
[M+H-H2O]+ 354.08799 176.1
[M+HCOO]- 416.08893 200.0
[M+CH3COO]- 430.10458 203.2
[M+Na-2H]- 392.06540 189.4
[M]+ 371.09018 188.6
[M]- 371.09128 188.6
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.