CID 9570340

Ergoterm tgc

Structural Information

Molecular Formula
C30H40O4S2Sn
SMILES
C1CCC(CC1)OC(=O)CS[Sn](CC2=CC=CC=C2)(CC3=CC=CC=C3)SCC(=O)OC4CCCCC4
InChI
InChI=1S/2C8H14O2S.2C7H7.Sn/c2*9-8(6-11)10-7-4-2-1-3-5-7;2*1-7-5-3-2-4-6-7;/h2*7,11H,1-6H2;2*2-6H,1H2;/q;;;;+2/p-2
InChIKey
VOLQLACDIHNYDI-UHFFFAOYSA-L
Compound name
cyclohexyl 2-[dibenzyl-(2-cyclohexyloxy-2-oxoethyl)sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.139 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.14628 236.1
[M+Na]+ 671.12822 244.1
[M+NH4]+ 666.17282 242.6
[M+K]+ 687.10216 232.0
[M-H]- 647.13172 242.2
[M+Na-2H]- 669.11367 242.9
[M]+ 648.13845 239.8
[M]- 648.13955 239.8
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.