CID 16684164

Dibutyltin bis(stearyl maleate)

Structural Information

Molecular Formula
C52H96O8Sn
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCCCC)(CCCC)CCCC
InChI
InChI=1S/2C22H40O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*19-18-;;;
InChIKey
WHWTUCZRUDXTMZ-YPKQJYFLSA-L
Compound name
4-O-[dibutyl-[(Z)-4-octadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-octadecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

968.61273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 969.62001 327.8
[M+Na]+ 991.60195 332.0
[M-H]- 967.60545 317.1
[M+NH4]+ 986.64655 339.2
[M+K]+ 1007.5759 340.5
[M+H-H2O]+ 951.60999 326.6
[M+HCOO]- 1013.6109 326.4
[M+CH3COO]- 1027.6266 312.6
[M+Na-2H]- 989.58740 305.6
[M]+ 968.61218 329.0
[M]- 968.61328 329.0
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