CID 9571256

Nsc630459

Structural Information

Molecular Formula
C34H40N4O2S4Sn
SMILES
CCCC[Sn](S/C(=N\N=C/C1=CC=CO1)/SCC2=CC=CC=C2)(S/C(=N\N=C/C3=CC=CO3)/SCC4=CC=CC=C4)CCCC
InChI
InChI=1S/2C13H12N2OS2.2C4H9.Sn/c2*17-13(15-14-9-12-7-4-8-16-12)18-10-11-5-2-1-3-6-11;2*1-3-4-2;/h2*1-9H,10H2,(H,15,17);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*14-9-;;;
InChIKey
OXEGFBBZHYKFKG-FCLRIJKTSA-L
Compound name
(Z)-1-benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

784.1056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.11288 287.2
[M+Na]+ 807.09482 290.0
[M-H]- 783.09832 299.8
[M+NH4]+ 802.13942 289.3
[M+K]+ 823.06876 280.8
[M+H-H2O]+ 767.10286 277.3
[M+HCOO]- 829.10380 294.2
[M+CH3COO]- 843.11945 275.3
[M+Na-2H]- 805.08027 286.4
[M]+ 784.10505 293.2
[M]- 784.10615 293.2
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

No patent data available for this compound.