CID 9569947

Nsc628590

Structural Information

Molecular Formula
C32H26N2S2Sn
SMILES
C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6
InChI
InChI=1S/2C9H7NS.2C7H7.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h2*1-6,11H;2*2-6H,1H2;/q;;;;+2/p-2
InChIKey
ZAKBFTNZHVZBOI-UHFFFAOYSA-L
Compound name
dibenzyl-bis(quinolin-8-ylsulfanyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.05597 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.06325 237.3
[M+Na]+ 645.04519 244.1
[M-H]- 621.04869 245.5
[M+NH4]+ 640.08979 241.3
[M+K]+ 661.01913 232.3
[M+H-H2O]+ 605.05323 224.3
[M+HCOO]- 667.05417 243.7
[M+CH3COO]- 681.06982 241.8
[M+Na-2H]- 643.03064 241.9
[M]+ 622.05542 239.1
[M]- 622.05652 239.1
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

No patent data available for this compound.