CID 135416959

28683-81-0

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2)O
InChI
InChI=1S/C14H9ClN2O2/c15-8-5-6-11-10(7-8)14(19)17-13(16-11)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17,19)
InChIKey
MOKNCCJRANEBEU-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-hydroxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

272.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 157.1
[M+Na]+ 295.02447 168.8
[M-H]- 271.02797 160.1
[M+NH4]+ 290.06907 171.5
[M+K]+ 310.99841 161.1
[M+H-H2O]+ 255.03251 149.3
[M+HCOO]- 317.03345 171.4
[M+CH3COO]- 331.04910 168.8
[M+Na-2H]- 293.00992 164.1
[M]+ 272.03470 158.1
[M]- 272.03580 158.1
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