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 215.4
[M+Na]+ 498.00839 222.7
[M-H]- 474.01189 220.7
[M+NH4]+ 493.05299 230.4
[M+K]+ 513.98233 208.6
[M+H-H2O]+ 458.01643 207.7
[M+HCOO]- 520.01737 232.3
[M+CH3COO]- 534.03302 212.6
[M+Na-2H]- 495.99384 213.4
[M]+ 475.01862 215.8
[M]- 475.01972 215.8
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.