CID 5274756

Chembl180800

Structural Information

Molecular Formula
C15H12N2O3Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C15H12N2O3Se/c1-8-16-13-14(19)11(7-12(18)15(13)21-8)17-9-3-5-10(20-2)6-4-9/h3-7,17H,1-2H3
InChIKey
SWCNUVWPEWYOTI-UHFFFAOYSA-N
Compound name
5-(4-methoxyanilino)-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00858 174.0
[M+Na]+ 370.99052 183.5
[M-H]- 346.99402 180.9
[M+NH4]+ 366.03512 190.9
[M+K]+ 386.96446 178.9
[M+H-H2O]+ 330.99856 165.6
[M+HCOO]- 392.99950 196.8
[M+CH3COO]- 407.01515 206.3
[M+Na-2H]- 368.97597 176.3
[M]+ 348.00075 176.6
[M]- 348.00185 176.6
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.