CID 16684136

Dtxsid601135652

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 253.3
[M+Na]+ 667.13247 251.6
[M-H]- 643.13597 256.0
[M+NH4]+ 662.17707 255.7
[M+K]+ 683.10641 248.2
[M+H-H2O]+ 627.14051 241.5
[M+HCOO]- 689.14145 267.6
[M+CH3COO]- 703.15710 247.2
[M+Na-2H]- 665.11792 247.5
[M]+ 644.14270 261.7
[M]- 644.14380 261.7
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