CID 63378

2385-23-1

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c1-11-16-14-10-6-5-9-13(14)15(18)17(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
LGNHCOKGKIUFDW-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

236.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 152.1
[M+Na]+ 259.08418 162.8
[M-H]- 235.08768 157.6
[M+NH4]+ 254.12878 168.3
[M+K]+ 275.05812 157.3
[M+H-H2O]+ 219.09222 142.9
[M+HCOO]- 281.09316 173.5
[M+CH3COO]- 295.10881 165.0
[M+Na-2H]- 257.06963 160.6
[M]+ 236.09441 153.0
[M]- 236.09551 153.0
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