CID 91216

24687-31-8

Structural Information

Molecular Formula
C22H23N2Se2
SMILES
CCN1C2=CC=CC=C2[Se]C1=CC(=CC3=[N+](C4=CC=CC=C4[Se]3)CC)C
InChI
InChI=1S/C22H23N2Se2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
InChIKey
BIXKBSVGOJCRKU-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

475.01917 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.02645 204.4
[M+Na]+ 498.00839 220.3
[M+NH4]+ 493.05299 213.6
[M+K]+ 513.98233 213.4
[M-H]- 474.01189 209.9
[M+Na-2H]- 495.99384 209.6
[M]+ 475.01862 208.6
[M]- 475.01972 208.6
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.