CID 368667

Nsc639785

Structural Information

Molecular Formula
C18H12N2Se2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)[Se][Se]C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H12N2Se2/c1-3-7-15-13(5-1)9-11-17(19-15)21-22-18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey
DCUTWTNLFDZTEZ-UHFFFAOYSA-N
Compound name
2-(quinolin-2-yldiselanyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.93307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.94035 190.0
[M+Na]+ 438.92229 198.4
[M-H]- 414.92579 194.4
[M+NH4]+ 433.96689 203.1
[M+K]+ 454.89623 190.1
[M+H-H2O]+ 398.93033 177.7
[M+HCOO]- 460.93127 208.7
[M+CH3COO]- 474.94692 199.3
[M+Na-2H]- 436.90774 197.8
[M]+ 415.93252 190.9
[M]- 415.93362 190.9
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

No patent data available for this compound.