CID 63703

4(3h)-quinazolinone, 3-(5-chloro-2-methylphenyl)-2-methyl-

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1=C(C=C(C=C1)Cl)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H13ClN2O/c1-10-7-8-12(17)9-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3
InChIKey
KINCOWFYZXMXMF-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 163.0
[M+Na]+ 307.06088 182.4
[M+NH4]+ 302.10548 172.4
[M+K]+ 323.03482 172.5
[M-H]- 283.06438 168.2
[M+Na-2H]- 305.04633 173.1
[M]+ 284.07111 167.9
[M]- 284.07221 167.9
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

No patent data available for this compound.