CID 16683213

Nsc644911

Structural Information

Molecular Formula
C42H32O4Sn
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Sn](O/C(=C\C(=O)C3=CC=CC=C3)/C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/2C15H12O2.2C6H5.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h2*1-11,16H;2*1-5H;/q;;;;+2/p-2/b2*14-11-;;;
InChIKey
TXPMVYFQHSGVMQ-BGFMMZJESA-L
Compound name
(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.13226 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.13954 269.0
[M+Na]+ 743.12148 265.1
[M-H]- 719.12498 281.5
[M+NH4]+ 738.16608 264.8
[M+K]+ 759.09542 257.6
[M+H-H2O]+ 703.12952 252.0
[M+HCOO]- 765.13046 280.7
[M+CH3COO]- 779.14611 269.4
[M+Na-2H]- 741.10693 265.2
[M]+ 720.13171 264.0
[M]- 720.13281 264.0
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.