CID 16683136

Nsc628571

Structural Information

Molecular Formula
C19H21NO4Sn
SMILES
CN1CC(=O)O[Sn](OC(=O)C1)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/2C7H7.C5H9NO4.Sn/c2*1-7-5-3-2-4-6-7;1-6(2-4(7)8)3-5(9)10;/h2*2-6H,1H2;2-3H2,1H3,(H,7,8)(H,9,10);/q;;;+2/p-2
InChIKey
RAPLJRKNJJSABY-UHFFFAOYSA-L
Compound name
2,2-dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.04926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.05654 180.8
[M+Na]+ 470.03848 184.9
[M-H]- 446.04198 184.6
[M+NH4]+ 465.08308 185.2
[M+K]+ 486.01242 184.7
[M+H-H2O]+ 430.04652 174.8
[M+HCOO]- 492.04746 187.6
[M+CH3COO]- 506.06311 183.8
[M+Na-2H]- 468.02393 179.2
[M]+ 447.04871 180.6
[M]- 447.04981 180.6
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.