CID 101936

988-93-2

Structural Information

Molecular Formula
C23H23N2Se2
SMILES
CCN1C2=CC=CC=C2[Se]C1=CC=CC=CC3=[N+](C4=CC=CC=C4[Se]3)CC
InChI
InChI=1S/C23H23N2Se2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
InChIKey
OHWBKNMMEGTVGJ-UHFFFAOYSA-N
Compound name
3-ethyl-2-[5-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

487.01917 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.02645 208.8
[M+Na]+ 510.00839 224.9
[M+NH4]+ 505.05299 217.7
[M+K]+ 525.98233 216.9
[M-H]- 486.01189 214.3
[M+Na-2H]- 507.99384 213.9
[M]+ 487.01862 213.0
[M]- 487.01972 213.0
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

patents stripe