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

16
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.