CID 9571253

Nsc630456

Structural Information

Molecular Formula
C32H34N6S4Sn
SMILES
C/C(=N/N=C(\S[Sn](S/C(=N\N=C(/C1=CC=CC=N1)\C)/SCC2=CC=CC=C2)(C)C)/SCC3=CC=CC=C3)/C4=CC=CC=N4
InChI
InChI=1S/2C15H15N3S2.2CH3.Sn/c2*1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;;/h2*2-10H,11H2,1H3,(H,18,19);2*1H3;/q;;;;+2/p-2/b2*17-12-;;;
InChIKey
XWANMTWJIIWBRA-WBDBHDCFSA-L
Compound name
(Z)-N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

750.075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.08228 261.0
[M+Na]+ 773.06422 261.4
[M-H]- 749.06772 267.9
[M+NH4]+ 768.10882 259.4
[M+K]+ 789.03816 248.4
[M+H-H2O]+ 733.07226 248.0
[M+HCOO]- 795.07320 261.2
[M+CH3COO]- 809.08885 272.7
[M+Na-2H]- 771.04967 264.5
[M]+ 750.07445 259.5
[M]- 750.07555 259.5
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.