CID 135449340

Pirquinozol

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NN3C(=O)N2)CO
InChI
InChI=1S/C11H9N3O2/c15-6-7-5-10-8-3-1-2-4-9(8)12-11(16)14(10)13-7/h1-5,15H,6H2,(H,12,16)
InChIKey
XLUKOGNIEDDIMV-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

268
Patents

215.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 143.9
[M+Na]+ 238.058688 156.4
[M-H]- 214.062194 144.2
[M+NH4]+ 233.103293 161.6
[M+K]+ 254.032628 150.6
[M+H-H2O]+ 198.066730 136.6
[M+HCOO]- 260.067671 163.3
[M+CH3COO]- 274.083321 156.8
[M+Na-2H]- 236.044136 152.4
[M]+ 215.06892142 145.6
[M]- 215.07001858 145.6
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