CID 135412668

2-(pyridin-4-yl)quinazolin-4-ol

Structural Information

Molecular Formula
C13H9N3O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17)
InChIKey
QYVWMIMELRGQGM-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

15
Patents

223.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 148.3
[M+Na]+ 246.06377 158.5
[M-H]- 222.06727 150.9
[M+NH4]+ 241.10837 162.5
[M+K]+ 262.03771 152.2
[M+H-H2O]+ 206.07181 138.8
[M+HCOO]- 268.07275 167.5
[M+CH3COO]- 282.08840 160.1
[M+Na-2H]- 244.04922 158.2
[M]+ 223.07400 146.8
[M]- 223.07510 146.8
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.