CID 9571228

84569-47-1

Structural Information

Molecular Formula
C24H20N6S4
SMILES
CS/C(=N\N=C\C1=NC2=CC=CC=C2C=C1)/SS/C(=N/N=C/C3=NC4=CC=CC=C4C=C3)/SC
InChI
InChI=1S/C24H20N6S4/c1-31-23(29-25-15-19-13-11-17-7-3-5-9-21(17)27-19)33-34-24(32-2)30-26-16-20-14-12-18-8-4-6-10-22(18)28-20/h3-16H,1-2H3/b25-15+,26-16+,29-23+,30-24+
InChIKey
GRXWQBQCPXIESA-BZIUZYTDSA-N
Compound name
(E)-1-methylsulfanyl-1-[[(E)-C-methylsulfanyl-N-[(E)-quinolin-2-ylmethylideneamino]carbonimidoyl]disulfanyl]-N-[(E)-quinolin-2-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.06323 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.07051 211.3
[M+Na]+ 543.05245 219.0
[M-H]- 519.05595 217.0
[M+NH4]+ 538.09705 218.6
[M+K]+ 559.02639 206.7
[M+H-H2O]+ 503.06049 201.9
[M+HCOO]- 565.06143 216.5
[M+CH3COO]- 579.07708 217.0
[M+Na-2H]- 541.03790 221.0
[M]+ 520.06268 214.0
[M]- 520.06378 214.0
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.