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 246.0
[M+Na]+ 671.12822 240.9
[M-H]- 647.13172 251.9
[M+NH4]+ 666.17282 248.3
[M+K]+ 687.10216 234.5
[M+H-H2O]+ 631.13626 234.4
[M+HCOO]- 693.13720 245.7
[M+CH3COO]- 707.15285 244.1
[M+Na-2H]- 669.11367 240.0
[M]+ 648.13845 242.4
[M]- 648.13955 242.4
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.