CID 63248

4(3h)-quinazolinone, 2-methyl-3-phenethyl-

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-13-18-16-10-6-5-9-15(16)17(20)19(13)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey
OAIJPTGFGSKJKY-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-phenylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

264.12625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.4
[M+Na]+ 287.11547 171.1
[M-H]- 263.11897 166.5
[M+NH4]+ 282.16007 176.4
[M+K]+ 303.08941 165.2
[M+H-H2O]+ 247.12351 151.7
[M+HCOO]- 309.12445 182.1
[M+CH3COO]- 323.14010 173.3
[M+Na-2H]- 285.10092 168.7
[M]+ 264.12570 162.9
[M]- 264.12680 162.9
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