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

37
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

patents stripe