CID 160250

6-hydroxyazapropazone

Structural Information

Molecular Formula
C16H20N4O3
SMILES
CCCC1C(=O)N2C3=C(C=C(C(=C3)C)O)N=C(N2C1=O)N(C)C
InChI
InChI=1S/C16H20N4O3/c1-5-6-10-14(22)19-12-7-9(2)13(21)8-11(12)17-16(18(3)4)20(19)15(10)23/h7-8,10,21H,5-6H2,1-4H3
InChIKey
OMGXOEFNBDYLQW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-8-hydroxy-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.15353 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16081 175.9
[M+Na]+ 339.14275 187.4
[M+NH4]+ 334.18735 181.7
[M+K]+ 355.11669 184.1
[M-H]- 315.14625 176.1
[M+Na-2H]- 337.12820 176.7
[M]+ 316.15298 177.3
[M]- 316.15408 177.3
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.