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]+ 336.993076 163.4
[M+Na]+ 358.975018 176.0
[M-H]- 334.978524 167.3
[M+NH4]+ 354.019623 176.0
[M+K]+ 374.948958 163.1
[M+H-H2O]+ 318.983060 160.8
[M+HCOO]- 380.984001 176.0
[M+CH3COO]- 394.999651 175.3
[M+Na-2H]- 356.960466 169.6
[M]+ 335.98525142 179.3
[M]- 335.98634858 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.