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 176.3
[M+Na]+ 339.14275 186.7
[M-H]- 315.14625 178.7
[M+NH4]+ 334.18735 191.4
[M+K]+ 355.11669 182.7
[M+H-H2O]+ 299.15079 168.5
[M+HCOO]- 361.15173 192.7
[M+CH3COO]- 375.16738 214.7
[M+Na-2H]- 337.12820 176.7
[M]+ 316.15298 179.9
[M]- 316.15408 179.9
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.