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

531
Patents

644.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.150526 253.3
[M+Na]+ 667.132468 251.6
[M-H]- 643.135974 256.0
[M+NH4]+ 662.177073 255.7
[M+K]+ 683.106408 248.2
[M+H-H2O]+ 627.140510 241.5
[M+HCOO]- 689.141451 267.6
[M+CH3COO]- 703.157101 247.2
[M+Na-2H]- 665.117916 247.5
[M]+ 644.14270142 261.7
[M]- 644.14379858 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