CID 26098

Azapropazone

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C
InChI
InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3
InChIKey
MPHPHYZQRGLTBO-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

185
References

24422
Patents

300.15863 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 172.9
[M+Na]+ 323.14785 183.0
[M-H]- 299.15135 176.2
[M+NH4]+ 318.19245 189.1
[M+K]+ 339.12179 179.1
[M+H-H2O]+ 283.15589 164.4
[M+HCOO]- 345.15683 190.7
[M+CH3COO]- 359.17248 213.5
[M+Na-2H]- 321.13330 174.2
[M]+ 300.15808 176.4
[M]- 300.15918 176.4
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