CID 16684136

7324-74-5

Structural Information

Molecular Formula
C30H36O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCC1=CC=CC=C1)(OC(=O)/C=C\C(=O)OCC2=CC=CC=C2)CCCC
InChI
InChI=1S/2C11H10O4.2C4H9.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;2*1-3-4-2;/h2*1-7H,8H2,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*7-6-;;;
InChIKey
TUALPPJDVFLVNQ-KUAKSMGGSA-L
Compound name
1-O-benzyl 4-O-[dibutyl-[(Z)-4-oxo-4-phenylmethoxybut-2-enoyl]oxystannyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

623
Patents

644.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.15053 244.3
[M+Na]+ 667.13247 250.7
[M+NH4]+ 662.17707 228.6
[M+K]+ 683.10641 245.0
[M-H]- 643.13597 242.4
[M+Na-2H]- 665.11792 245.3
[M]+ 644.14270 244.0
[M]- 644.14380 244.0
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

patents stripe