CID 284638

3h-pyrano(3,2-f)quinolin-3-one

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC2=C(C=CC3=C2C=CC(=O)O3)N=C1
InChI
InChI=1S/C12H7NO2/c14-12-6-3-9-8-2-1-7-13-10(8)4-5-11(9)15-12/h1-7H
InChIKey
ROVZMKXAGDXPJB-UHFFFAOYSA-N
Compound name
pyrano[3,2-f]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

197.04768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.054956 135.6
[M+Na]+ 220.036898 148.0
[M-H]- 196.040404 141.5
[M+NH4]+ 215.081503 154.7
[M+K]+ 236.010838 144.9
[M+H-H2O]+ 180.044940 128.3
[M+HCOO]- 242.045881 158.7
[M+CH3COO]- 256.061531 150.6
[M+Na-2H]- 218.022346 149.0
[M]+ 197.04713142 139.6
[M]- 197.04822858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe