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]+ 224.081826 148.3
[M+Na]+ 246.063768 158.5
[M-H]- 222.067274 150.9
[M+NH4]+ 241.108373 162.5
[M+K]+ 262.037708 152.2
[M+H-H2O]+ 206.071810 138.8
[M+HCOO]- 268.072751 167.5
[M+CH3COO]- 282.088401 160.1
[M+Na-2H]- 244.049216 158.2
[M]+ 223.07400142 146.8
[M]- 223.07509858 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

literature stripe

Patent stripe

patents stripe