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 219.4
[M+Na]+ 510.00839 226.9
[M-H]- 486.01189 224.4
[M+NH4]+ 505.05299 233.9
[M+K]+ 525.98233 211.5
[M+H-H2O]+ 470.01643 211.3
[M+HCOO]- 532.01737 237.1
[M+CH3COO]- 546.03302 213.4
[M+Na-2H]- 507.99384 217.8
[M]+ 487.01862 219.9
[M]- 487.01972 219.9
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