CID 16683569

Nsc633500

Structural Information

Molecular Formula
C22H29NO2Sn
SMILES
CCCC[Sn]1(OC(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC
InChI
InChI=1S/C14H12NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,17H;2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
YWAUFBMPZSGXNF-UHFFFAOYSA-M
Compound name
2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.12204 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12932 209.7
[M+Na]+ 482.11126 213.8
[M-H]- 458.11476 217.2
[M+NH4]+ 477.15586 218.9
[M+K]+ 498.08520 210.5
[M+H-H2O]+ 442.11930 197.8
[M+HCOO]- 504.12024 225.4
[M+CH3COO]- 518.13589 218.0
[M+Na-2H]- 480.09671 211.8
[M]+ 459.12149 211.6
[M]- 459.12259 211.6
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.