CID 16683162

Nsc633495

Structural Information

Molecular Formula
C14H21NO3Sn
SMILES
CCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCC
InChI
InChI=1S/C6H5NO3.2C4H9.Sn/c8-5-4(6(9)10)2-1-3-7-5;2*1-3-4-2;/h1-3H,(H,7,8)(H,9,10);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
FQVZYUVDLURQDA-UHFFFAOYSA-L
Compound name
2,2-dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.05435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06163 181.7
[M+Na]+ 394.04357 188.3
[M-H]- 370.04707 184.7
[M+NH4]+ 389.08817 196.5
[M+K]+ 410.01751 187.1
[M+H-H2O]+ 354.05161 173.2
[M+HCOO]- 416.05255 197.7
[M+CH3COO]- 430.06820 201.5
[M+Na-2H]- 392.02902 187.0
[M]+ 371.05380 186.0
[M]- 371.05490 186.0
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.