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 262.2
[M+Na]+ 731.22212 268.0
[M+NH4]+ 726.26672 265.6
[M+K]+ 747.19606 256.0
[M-H]- 707.22562 263.2
[M+Na-2H]- 729.20757 263.8
[M]+ 708.23235 264.1
[M]- 708.23345 264.1
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