CID 13669238

Isoxazolo(4,5-c)quinolin-3(2h)-one, 7-methoxy-2-phenyl-

Structural Information

Molecular Formula
C17H12N2O3
SMILES
COC1=CC2=NC=C3C(=C2C=C1)ON(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12N2O3/c1-21-12-7-8-13-15(9-12)18-10-14-16(13)22-19(17(14)20)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
VUCNBHKYELJDON-UHFFFAOYSA-N
Compound name
7-methoxy-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

292.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 164.2
[M+Na]+ 315.07400 177.0
[M-H]- 291.07750 172.3
[M+NH4]+ 310.11860 179.7
[M+K]+ 331.04794 172.8
[M+H-H2O]+ 275.08204 155.2
[M+HCOO]- 337.08298 186.3
[M+CH3COO]- 351.09863 177.6
[M+Na-2H]- 313.05945 172.1
[M]+ 292.08423 170.6
[M]- 292.08533 170.6
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