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
2
Annotation Hits

3
References

354
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

literature stripe

Patent stripe

patents stripe