CID 10753131

70176-61-3

Structural Information

Molecular Formula
C16H11NO2
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4O3
InChI
InChI=1S/C16H11NO2/c1-17-12-8-4-2-6-10(12)15(18)16-14(17)11-7-3-5-9-13(11)19-16/h2-9H,1H3
InChIKey
DPCALGVREGADMC-UHFFFAOYSA-N
Compound name
5-methyl-[1]benzofuro[3,2-b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 151.6
[M+Na]+ 272.068198 166.1
[M-H]- 248.071704 159.3
[M+NH4]+ 267.112803 171.9
[M+K]+ 288.042138 161.5
[M+H-H2O]+ 232.076240 144.6
[M+HCOO]- 294.077181 175.1
[M+CH3COO]- 308.092831 166.7
[M+Na-2H]- 270.053646 161.8
[M]+ 249.07843142 158.6
[M]- 249.07952858 158.6
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.