CID 5274759

Chembl3706796

Structural Information

Molecular Formula
C14H8Cl2N2O2Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)NC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2O2Se/c1-6-17-12-13(20)10(5-11(19)14(12)21-6)18-9-3-7(15)2-8(16)4-9/h2-5,18H,1H3
InChIKey
QPROHTCTRNWWMD-UHFFFAOYSA-N
Compound name
5-(3,5-dichloroanilino)-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.9128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.92008 182.1
[M+Na]+ 408.90202 194.1
[M-H]- 384.90552 188.2
[M+NH4]+ 403.94662 199.0
[M+K]+ 424.87596 186.4
[M+H-H2O]+ 368.91006 175.2
[M+HCOO]- 430.91100 195.1
[M+CH3COO]- 444.92665 193.5
[M+Na-2H]- 406.88747 182.5
[M]+ 385.91225 186.6
[M]- 385.91335 186.6
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.