CID 16350789

2-(2-pyridinyl)-2,3-dihydro-4(1h)-quinazolinone

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=CC=N3
InChI
InChI=1S/C13H11N3O/c17-13-9-5-1-2-6-10(9)15-12(16-13)11-7-3-4-8-14-11/h1-8,12,15H,(H,16,17)
InChIKey
NTZOOVUEDABBOI-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 150.7
[M+Na]+ 248.07943 158.5
[M-H]- 224.08293 151.2
[M+NH4]+ 243.12403 164.0
[M+K]+ 264.05337 151.8
[M+H-H2O]+ 208.08747 141.4
[M+HCOO]- 270.08841 165.6
[M+CH3COO]- 284.10406 160.8
[M+Na-2H]- 246.06488 158.2
[M]+ 225.08966 144.6
[M]- 225.09076 144.6
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