CID 135659316

2-chloro-8-methoxy-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
COC1=CC=CC2=C1N=C(NC2=O)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)11-9(10)12-8(5)13/h2-4H,1H3,(H,11,12,13)
InChIKey
UBWUNMXPUUXQRB-UHFFFAOYSA-N
Compound name
2-chloro-8-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

210.0196 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.026876 138.6
[M+Na]+ 233.008818 150.8
[M-H]- 209.012324 139.9
[M+NH4]+ 228.053423 156.6
[M+K]+ 248.982758 145.7
[M+H-H2O]+ 193.016860 132.3
[M+HCOO]- 255.017801 154.9
[M+CH3COO]- 269.033451 182.2
[M+Na-2H]- 230.994266 147.1
[M]+ 210.01905142 141.8
[M]- 210.02014858 141.8
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

patents stripe