CID 162345235

Ns00133063

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)Cl)O
InChI
InChI=1S/C14H9ClN2O2/c15-10-6-7-12-11(8-10)13(16-14(18)17(12)19)9-4-2-1-3-5-9/h1-8,19H
InChIKey
JLDIACNIMNOXFM-UHFFFAOYSA-N
Compound name
6-chloro-1-hydroxy-4-phenylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.042526 156.9
[M+Na]+ 295.024468 169.1
[M-H]- 271.027974 161.3
[M+NH4]+ 290.069073 172.0
[M+K]+ 310.998408 162.2
[M+H-H2O]+ 255.032510 148.7
[M+HCOO]- 317.033451 172.7
[M+CH3COO]- 331.049101 169.3
[M+Na-2H]- 293.009916 164.3
[M]+ 272.03470142 159.7
[M]- 272.03579858 159.7
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.