CID 64049

890-03-9

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=N3
InChI
InChI=1S/C14H11N3O/c1-10-16-12-7-3-2-6-11(12)14(18)17(10)13-8-4-5-9-15-13/h2-9H,1H3
InChIKey
MFJAQXJDYDHLQK-UHFFFAOYSA-N
Compound name
2-methyl-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

237.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 153.1
[M+Na]+ 260.079428 164.2
[M-H]- 236.082934 157.3
[M+NH4]+ 255.124033 167.8
[M+K]+ 276.053368 158.6
[M+H-H2O]+ 220.087470 143.2
[M+HCOO]- 282.088411 173.4
[M+CH3COO]- 296.104061 165.5
[M+Na-2H]- 258.064876 162.1
[M]+ 237.08966142 154.1
[M]- 237.09075858 154.1
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