CID 387486

Nsc681287

Structural Information

Molecular Formula
C16H9ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C16H9ClN2O2/c17-10-6-7-12-11(8-10)14-13(15(20)18-12)19-16(21-14)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKey
JHFNLDNGMOPDPD-UHFFFAOYSA-N
Compound name
8-chloro-2-phenyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.03525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04253 163.7
[M+Na]+ 319.02447 177.5
[M-H]- 295.02797 170.2
[M+NH4]+ 314.06907 179.4
[M+K]+ 334.99841 170.6
[M+H-H2O]+ 279.03251 155.7
[M+HCOO]- 341.03345 179.8
[M+CH3COO]- 355.04910 176.6
[M+Na-2H]- 317.00992 171.1
[M]+ 296.03470 168.9
[M]- 296.03580 168.9
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

No patent data available for this compound.