CID 389387

Nsc685453

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12N2O2/c1-11-18-15-16(21-11)13-9-5-6-10-14(13)19(17(15)20)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
LXXSYBITZWRFHG-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-[1,3]oxazolo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 161.2
[M+Na]+ 299.07909 174.3
[M-H]- 275.08259 169.3
[M+NH4]+ 294.12369 177.5
[M+K]+ 315.05303 169.4
[M+H-H2O]+ 259.08713 152.4
[M+HCOO]- 321.08807 183.2
[M+CH3COO]- 335.10372 174.8
[M+Na-2H]- 297.06454 169.0
[M]+ 276.08932 166.2
[M]- 276.09042 166.2
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

No patent data available for this compound.