CID 63120

3214-64-0

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=C(N=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C15H13N3O/c1-10-6-5-9-16-14(10)18-11(2)17-13-8-4-3-7-12(13)15(18)19/h3-9H,1-2H3
InChIKey
LZORTVCIUAAACZ-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methyl-2-pyridinyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

251.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 158.1
[M+Na]+ 274.095088 169.7
[M-H]- 250.098594 162.5
[M+NH4]+ 269.139693 172.5
[M+K]+ 290.069028 163.9
[M+H-H2O]+ 234.103130 148.2
[M+HCOO]- 296.104071 178.0
[M+CH3COO]- 310.119721 170.4
[M+Na-2H]- 272.080536 165.7
[M]+ 251.10532142 159.9
[M]- 251.10641858 159.9
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