CID 16683215

(z)-3-[[(z)-1-methyl-3-oxo-3-phenyl-prop-1-enoxy]-dipropyl-stannyl]oxy-1-phenyl-but-2-en-1-one

Structural Information

Molecular Formula
C26H32O4Sn
SMILES
CCC[Sn](O/C(=C\C(=O)C1=CC=CC=C1)/C)(O/C(=C\C(=O)C2=CC=CC=C2)/C)CCC
InChI
InChI=1S/2C10H10O2.2C3H7.Sn/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-3-2;/h2*2-7,11H,1H3;2*1,3H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;
InChIKey
XWXLADKASOIOAM-KKUWAICFSA-L
Compound name
(Z)-3-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]oxy-dipropylstannyl]oxy-1-phenylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.13226 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.13954 227.2
[M+Na]+ 551.12148 227.4
[M-H]- 527.12498 230.8
[M+NH4]+ 546.16608 234.9
[M+K]+ 567.09542 222.7
[M+H-H2O]+ 511.12952 216.9
[M+HCOO]- 573.13046 241.9
[M+CH3COO]- 587.14611 231.7
[M+Na-2H]- 549.10693 222.5
[M]+ 528.13171 230.5
[M]- 528.13281 230.5
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.