CID 9562730

Nsc188192

Structural Information

Molecular Formula
C28H36N2O4S2Sn
SMILES
CCCC[Sn]1(N(C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)CCCC
InChI
InChI=1S/C20H18N2O4S2.2C4H9.Sn/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;2*1-3-4-2;/h3-14H,1-2H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKey
PBTSBNIITXVERU-UHFFFAOYSA-N
Compound name
2,2-dibutyl-1,3-bis-(4-methylphenyl)sulfonyl-1,3,2-benzodiazastannole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.11383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.12111 251.0
[M+Na]+ 671.10305 257.6
[M-H]- 647.10655 257.0
[M+NH4]+ 666.14765 257.8
[M+K]+ 687.07699 249.8
[M+H-H2O]+ 631.11109 241.5
[M+HCOO]- 693.11203 255.4
[M+CH3COO]- 707.12768 247.7
[M+Na-2H]- 669.08850 249.5
[M]+ 648.11328 258.7
[M]- 648.11438 258.7
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.