CID 135443232

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

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)Cl
InChI
InChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)
InChIKey
CNGRGEDXKHIFIL-UHFFFAOYSA-N
Compound name
2-chloro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

344
Patents

180.00903 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.016306 131.0
[M+Na]+ 202.998248 142.8
[M-H]- 179.001754 132.0
[M+NH4]+ 198.042853 149.9
[M+K]+ 218.972188 137.3
[M+H-H2O]+ 163.006290 124.9
[M+HCOO]- 225.007231 147.4
[M+CH3COO]- 239.022881 144.6
[M+Na-2H]- 200.983696 140.8
[M]+ 180.00848142 132.0
[M]- 180.00957858 132.0
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