CID 13669242

Isoxazolo(4,5-c)quinolin-3(2h)-one, 8-chloro-2-phenyl-

Structural Information

Molecular Formula
C16H9ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3O2)Cl
InChI
InChI=1S/C16H9ClN2O2/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(20)19(21-15)11-4-2-1-3-5-11/h1-9H
InChIKey
DQWAAGGHVNDUSR-UHFFFAOYSA-N
Compound name
8-chloro-2-phenyl-[1,2]oxazolo[4,5-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.03525 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04253 163.9
[M+Na]+ 319.02447 178.1
[M-H]- 295.02797 171.7
[M+NH4]+ 314.06907 180.2
[M+K]+ 334.99841 172.0
[M+H-H2O]+ 279.03251 155.5
[M+HCOO]- 341.03345 181.4
[M+CH3COO]- 355.04910 177.4
[M+Na-2H]- 317.00992 171.6
[M]+ 296.03470 170.8
[M]- 296.03580 170.8
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

patents stripe