CID 2807156

2-(4-chlorophenyl)-1,2-dihydro-4(3h)-quinazolinone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
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 156.0
[M+Na]+ 281.04522 165.0
[M-H]- 257.04872 157.9
[M+NH4]+ 276.08982 170.6
[M+K]+ 297.01916 156.9
[M+H-H2O]+ 241.05326 148.2
[M+HCOO]- 303.05420 167.3
[M+CH3COO]- 317.06985 166.5
[M+Na-2H]- 279.03067 161.7
[M]+ 258.05545 152.4
[M]- 258.05655 152.4
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