CID 9569948

Nsc628592

Structural Information

Molecular Formula
C30H22N2S2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6
InChI
InChI=1S/2C9H7NS.2C6H5.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2-4-6-5-3-1;/h2*1-6,11H;2*1-5H;/q;;;;+2/p-2
InChIKey
QSTLOYBHYBPUMN-UHFFFAOYSA-L
Compound name
diphenyl-bis(quinolin-8-ylsulfanyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

594.02466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.03194 229.9
[M+Na]+ 617.01388 237.7
[M-H]- 593.01738 238.6
[M+NH4]+ 612.05848 235.0
[M+K]+ 632.98782 226.1
[M+H-H2O]+ 577.02192 217.3
[M+HCOO]- 639.02286 236.9
[M+CH3COO]- 653.03851 235.3
[M+Na-2H]- 614.99933 235.3
[M]+ 594.02411 231.2
[M]- 594.02521 231.2
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