CID 9570457

Ergoterm tgo

Structural Information

Molecular Formula
C34H52O4S2Sn
SMILES
CC(C)CCCCCOC(=O)CS[Sn](CC1=CC=CC=C1)(CC2=CC=CC=C2)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.2C7H7.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-7-5-3-2-4-6-7;/h2*9,13H,3-8H2,1-2H3;2*2-6H,1H2;/q;;;;+2/p-2
InChIKey
RCCUJSLMEMSWBH-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[dibenzyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

708.2329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.24018 271.6
[M+Na]+ 731.22212 267.0
[M-H]- 707.22562 272.3
[M+NH4]+ 726.26672 272.7
[M+K]+ 747.19606 259.7
[M+H-H2O]+ 691.23016 259.7
[M+HCOO]- 753.23110 272.9
[M+CH3COO]- 767.24675 261.7
[M+Na-2H]- 729.20757 261.5
[M]+ 708.23235 281.5
[M]- 708.23345 281.5
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