CID 5274755

Chembl3706799

Structural Information

Molecular Formula
C15H12N2O2Se
SMILES
CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C([Se]3)C
InChI
InChI=1S/C15H12N2O2Se/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3
InChIKey
PGUIOZUPKOBYBC-UHFFFAOYSA-N
Compound name
2-methyl-5-(4-methylanilino)-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.0064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01368 171.2
[M+Na]+ 354.99562 180.9
[M-H]- 330.99912 178.0
[M+NH4]+ 350.04022 188.8
[M+K]+ 370.96956 175.6
[M+H-H2O]+ 315.00366 163.0
[M+HCOO]- 377.00460 193.8
[M+CH3COO]- 391.02025 204.1
[M+Na-2H]- 352.98107 173.4
[M]+ 332.00585 172.3
[M]- 332.00695 172.3
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.