CID 10704898

58585-00-5

Structural Information

Molecular Formula
C15H9NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C4=CC=CC=C4O3
InChI
InChI=1S/C15H9NO2/c17-14-9-5-1-3-7-11(9)16-13-10-6-2-4-8-12(10)18-15(13)14/h1-8H,(H,16,17)
InChIKey
IIHLGQTXQZXTKM-UHFFFAOYSA-N
Compound name
5H-[1]benzofuro[3,2-b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

235.06332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07060 146.1
[M+Na]+ 258.05254 159.8
[M-H]- 234.05604 152.3
[M+NH4]+ 253.09714 166.0
[M+K]+ 274.02648 154.5
[M+H-H2O]+ 218.06058 139.5
[M+HCOO]- 280.06152 168.6
[M+CH3COO]- 294.07717 160.7
[M+Na-2H]- 256.03799 157.3
[M]+ 235.06277 150.7
[M]- 235.06387 150.7
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