CID 13564503

2-phenylisoxazolo(4,5-c)quinolin-3(2h)-one

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(O2)C4=CC=CC=C4N=C3
InChI
InChI=1S/C16H10N2O2/c19-16-13-10-17-14-9-5-4-8-12(14)15(13)20-18(16)11-6-2-1-3-7-11/h1-10H
InChIKey
UBFZRACRSUKOKO-UHFFFAOYSA-N
Compound name
2-phenyl-[1,2]oxazolo[4,5-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.07422 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 155.8
[M+Na]+ 285.06344 168.4
[M-H]- 261.06694 163.6
[M+NH4]+ 280.10804 172.3
[M+K]+ 301.03738 163.7
[M+H-H2O]+ 245.07148 147.0
[M+HCOO]- 307.07242 178.1
[M+CH3COO]- 321.08807 169.5
[M+Na-2H]- 283.04889 164.9
[M]+ 262.07367 160.0
[M]- 262.07477 160.1
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

patents stripe