CID 63117

4(3h)-quinazolinone, 2-ethyl-3-(o-tolyl)-

Structural Information

Molecular Formula
C17H16N2O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C
InChI
InChI=1S/C17H16N2O/c1-3-16-18-14-10-6-5-9-13(14)17(20)19(16)15-11-7-4-8-12(15)2/h4-11H,3H2,1-2H3
InChIKey
UDHZAVFITRXCIU-UHFFFAOYSA-N
Compound name
2-ethyl-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 172.3
[M-H]- 263.11897 167.1
[M+NH4]+ 282.16007 176.9
[M+K]+ 303.08941 166.4
[M+H-H2O]+ 247.12351 152.1
[M+HCOO]- 309.12445 182.3
[M+CH3COO]- 323.14010 173.9
[M+Na-2H]- 285.10092 168.2
[M]+ 264.12570 163.6
[M]- 264.12680 163.6
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