CID 9571254

Nsc630457

Structural Information

Molecular Formula
C38H46N6S4Sn
SMILES
CCCC[Sn](S/C(=N\N=C(/C1=CC=CC=N1)\C)/SCC2=CC=CC=C2)(S/C(=N\N=C(/C3=CC=CC=N3)\C)/SCC4=CC=CC=C4)CCCC
InChI
InChI=1S/2C15H15N3S2.2C4H9.Sn/c2*1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;2*1-3-4-2;/h2*2-10H,11H2,1H3,(H,18,19);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-12-;;;
InChIKey
SWTSHSQXWSZFSU-WBDBHDCFSA-L
Compound name
(Z)-N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

834.1689 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 835.17618 278.4
[M+Na]+ 857.15812 276.1
[M-H]- 833.16162 284.0
[M+NH4]+ 852.20272 273.6
[M+K]+ 873.13206 262.3
[M+H-H2O]+ 817.16616 264.4
[M+HCOO]- 879.16710 277.0
[M+CH3COO]- 893.18275 287.1
[M+Na-2H]- 855.14357 280.4
[M]+ 834.16835 278.4
[M]- 834.16945 278.4
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.