CID 170913902

3-(5-bromo-4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C12H9BrN4O3
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C=CC=C3Br)N=N2
InChI
InChI=1S/C12H9BrN4O3/c13-6-2-1-3-7-10(6)12(20)17(16-15-7)8-4-5-9(18)14-11(8)19/h1-3,8H,4-5H2,(H,14,18,19)
InChIKey
MIUXNBUWAGQDAC-UHFFFAOYSA-N
Compound name
3-(5-bromo-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99308 163.4
[M+Na]+ 358.97502 176.0
[M-H]- 334.97852 167.3
[M+NH4]+ 354.01962 176.0
[M+K]+ 374.94896 163.1
[M+H-H2O]+ 318.98306 160.8
[M+HCOO]- 380.98400 176.0
[M+CH3COO]- 394.99965 175.3
[M+Na-2H]- 356.96047 169.6
[M]+ 335.98525 179.3
[M]- 335.98635 179.3
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

No patent data available for this compound.