CID 3762392

105445-58-7

Structural Information

Molecular Formula
C19H31NSSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey
BIXRSCVOWFUPML-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl(tributyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

425.11993 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12721 202.2
[M+Na]+ 448.10915 208.3
[M-H]- 424.11265 203.8
[M+NH4]+ 443.15375 218.3
[M+K]+ 464.08309 202.0
[M+H-H2O]+ 408.11719 193.9
[M+HCOO]- 470.11813 216.1
[M+CH3COO]- 484.13378 213.3
[M+Na-2H]- 446.09460 200.8
[M]+ 425.11938 209.7
[M]- 425.12048 209.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe