CID 5362397

Prinoxodan

Structural Information

Molecular Formula
C13H14N4O2
SMILES
CN1CC2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O
InChI
InChI=1S/C13H14N4O2/c1-17-7-9-6-8(2-3-10(9)14-13(17)19)11-4-5-12(18)16-15-11/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,16,18)
InChIKey
SUCNEHPNQBBVHQ-UHFFFAOYSA-N
Compound name
3-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

336
Patents

258.11166 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 163.0
[M+Na]+ 281.10088 170.7
[M-H]- 257.10438 162.0
[M+NH4]+ 276.14548 173.7
[M+K]+ 297.07482 164.2
[M+H-H2O]+ 241.10892 153.1
[M+HCOO]- 303.10986 173.8
[M+CH3COO]- 317.12551 171.6
[M+Na-2H]- 279.08633 166.5
[M]+ 258.11111 156.1
[M]- 258.11221 156.1
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.