CID 3117363

2-(3-chlorophenyl)-2,3-dihydroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H11ClN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
InChIKey
CHTHIDWUTAJPBR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

258.056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 156.4
[M+Na]+ 281.04522 172.6
[M+NH4]+ 276.08982 165.4
[M+K]+ 297.01916 163.8
[M-H]- 257.04872 160.2
[M+Na-2H]- 279.03067 164.5
[M]+ 258.05545 160.1
[M]- 258.05655 160.1
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