CID 853040

6-chloro-3-(4-methylbenzyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)9-19-10-18-15-7-6-13(17)8-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKey
CXRHMTNJWVIWJC-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 162.9
[M+Na]+ 307.06088 182.0
[M+NH4]+ 302.10548 172.3
[M+K]+ 323.03482 171.8
[M-H]- 283.06438 168.0
[M+Na-2H]- 305.04633 173.2
[M]+ 284.07111 167.7
[M]- 284.07221 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.