CID 97358

1803-18-5

Structural Information

Molecular Formula
C23H25NS2Sn
SMILES
CCN(CC)C(=S)S[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C5H11NS2.Sn/c3*1-2-4-6-5-3-1;1-3-6(4-2)5(7)8;/h3*1-5H;3-4H2,1-2H3,(H,7,8);/q;;;;+1/p-1
InChIKey
DVZANXQULQQLLV-UHFFFAOYSA-M
Compound name
triphenylstannyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

499.04504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.05232 212.2
[M+Na]+ 522.03426 215.6
[M-H]- 498.03776 220.4
[M+NH4]+ 517.07886 222.8
[M+K]+ 538.00820 207.7
[M+H-H2O]+ 482.04230 201.8
[M+HCOO]- 544.04324 222.2
[M+CH3COO]- 558.05889 226.4
[M+Na-2H]- 520.01971 211.1
[M]+ 499.04449 213.5
[M]- 499.04559 213.5
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