CID 484124

Chembl142145

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
COC1=CC=CC(=C1)C2NC3=C(C=C(C=C3)Cl)C(=O)N2
InChI
InChI=1S/C15H13ClN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKey
IQFRWIHSBFGANK-UHFFFAOYSA-N
Compound name
6-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

288.06656 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 163.8
[M+Na]+ 311.05578 173.1
[M-H]- 287.05928 165.9
[M+NH4]+ 306.10038 177.3
[M+K]+ 327.02972 165.6
[M+H-H2O]+ 271.06382 155.8
[M+HCOO]- 333.06476 175.0
[M+CH3COO]- 347.08041 174.0
[M+Na-2H]- 309.04123 168.3
[M]+ 288.06601 162.3
[M]- 288.06711 162.3
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.