CID 13669240

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

Structural Information

Molecular Formula
C17H9F3N2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3O2)C(F)(F)F
InChI
InChI=1S/C17H9F3N2O2/c18-17(19,20)10-6-7-14-12(8-10)15-13(9-21-14)16(23)22(24-15)11-4-2-1-3-5-11/h1-9H
InChIKey
RRCKMNOMCSGFEU-UHFFFAOYSA-N
Compound name
2-phenyl-8-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.0616 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06888 172.4
[M+Na]+ 353.05082 186.1
[M-H]- 329.05432 176.7
[M+NH4]+ 348.09542 186.5
[M+K]+ 369.02476 180.2
[M+H-H2O]+ 313.05886 161.3
[M+HCOO]- 375.05980 189.5
[M+CH3COO]- 389.07545 184.3
[M+Na-2H]- 351.03627 179.2
[M]+ 330.06105 173.8
[M]- 330.06215 173.8
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