CID 63219

2-methyl-3-(4-methylphenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)18-12(2)17-15-6-4-3-5-14(15)16(18)19/h3-10H,1-2H3
InChIKey
ZDTGZJXXQHUFIR-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.9
[M+Na]+ 273.09983 168.1
[M-H]- 249.10333 162.7
[M+NH4]+ 268.14443 172.8
[M+K]+ 289.07377 162.4
[M+H-H2O]+ 233.10787 147.7
[M+HCOO]- 295.10881 178.0
[M+CH3COO]- 309.12446 169.7
[M+Na-2H]- 271.08528 164.1
[M]+ 250.11006 158.6
[M]- 250.11116 158.6
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