CID 16683177

Nsc633512

Structural Information

Molecular Formula
C19H33NO2Sn
SMILES
CCCC[Sn]1(OCC(O1)CN(C)CC2=CC=CC=C2)CCCC
InChI
InChI=1S/C11H15NO2.2C4H9.Sn/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10;2*1-3-4-2;/h2-6,11H,7-9H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKey
VZPKQBKTFYTNPJ-UHFFFAOYSA-N
Compound name
N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.15332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16060 203.6
[M+Na]+ 450.14254 205.9
[M-H]- 426.14604 210.4
[M+NH4]+ 445.18714 218.0
[M+K]+ 466.11648 205.0
[M+H-H2O]+ 410.15058 195.0
[M+HCOO]- 472.15152 222.6
[M+CH3COO]- 486.16717 217.7
[M+Na-2H]- 448.12799 203.4
[M]+ 427.15277 207.9
[M]- 427.15387 207.9
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.