CID 16684162

2-butenedioic acid (2z)-, 1,1'-(butoxystibylene) 4,4'-dibutyl ester

Structural Information

Molecular Formula
C20H31O9Sb
SMILES
CCCCOC(=O)/C=C/C(=O)O[Sb](OC(=O)/C=C/C(=O)OCCCC)OCCCC
InChI
InChI=1S/2C8H12O4.C4H9O.Sb/c2*1-2-3-6-12-8(11)5-4-7(9)10;1-2-3-4-5;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2-4H2,1H3;/q;;-1;+3/p-2/b2*5-4+;;
InChIKey
VGHGMAXGWJHHEH-IETIOSNCSA-L
Compound name
4-O-[butoxy-[(E)-4-butoxy-4-oxobut-2-enoyl]oxystibanyl] 1-O-butyl (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.10065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.10793 215.2
[M+Na]+ 559.08987 217.2
[M+NH4]+ 554.13447 220.7
[M+K]+ 575.06381 216.4
[M-H]- 535.09337 212.1
[M+Na-2H]- 557.07532 220.7
[M]+ 536.10010 215.0
[M]- 536.10120 215.0
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.