CID 16683126

Nsc628561

Structural Information

Molecular Formula
C15H23NO3Sn
SMILES
CCCC[Sn]1(OC2=C(C=CC(=C2)N)C(=O)O1)CCCC
InChI
InChI=1S/C7H7NO3.2C4H9.Sn/c8-4-1-2-5(7(10)11)6(9)3-4;2*1-3-4-2;/h1-3,9H,8H2,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
DUBOSVIRXUWDTK-UHFFFAOYSA-L
Compound name
7-amino-2,2-dibutyl-1,3,2-benzodioxastannin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.07 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07728 186.9
[M+Na]+ 408.05922 193.1
[M-H]- 384.06272 190.9
[M+NH4]+ 403.10382 202.1
[M+K]+ 424.03316 191.4
[M+H-H2O]+ 368.06726 179.1
[M+HCOO]- 430.06820 204.1
[M+CH3COO]- 444.08385 207.6
[M+Na-2H]- 406.04467 190.5
[M]+ 385.06945 189.8
[M]- 385.07055 189.8
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.