CID 5274750

5-anilino-2-methyl-1,3-benzoselenazole-4,7-dione

Structural Information

Molecular Formula
C14H10N2O2Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)NC3=CC=CC=C3
InChI
InChI=1S/C14H10N2O2Se/c1-8-15-12-13(18)10(7-11(17)14(12)19-8)16-9-5-3-2-4-6-9/h2-7,16H,1H3
InChIKey
LAGMSEXBUUCUKS-UHFFFAOYSA-N
Compound name
5-anilino-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.99075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99803 166.4
[M+Na]+ 340.97997 175.6
[M-H]- 316.98347 173.0
[M+NH4]+ 336.02457 184.3
[M+K]+ 356.95391 170.6
[M+H-H2O]+ 300.98801 158.1
[M+HCOO]- 362.98895 189.4
[M+CH3COO]- 377.00460 199.8
[M+Na-2H]- 338.96542 169.8
[M]+ 317.99020 166.8
[M]- 317.99130 166.8
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.