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]+ 277.097146 161.2
[M+Na]+ 299.079088 174.3
[M-H]- 275.082594 169.3
[M+NH4]+ 294.123693 177.5
[M+K]+ 315.053028 169.4
[M+H-H2O]+ 259.087130 152.4
[M+HCOO]- 321.088071 183.2
[M+CH3COO]- 335.103721 174.8
[M+Na-2H]- 297.064536 169.0
[M]+ 276.08932142 166.2
[M]- 276.09041858 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.