CID 111198

1(3h)-isobenzofuranone, 3-(2-quinolinylmethylene)-

Structural Information

Molecular Formula
C18H11NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C=C3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C18H11NO2/c20-18-15-7-3-2-6-14(15)17(21-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H
InChIKey
CXPDELLOVTUCGG-UHFFFAOYSA-N
Compound name
3-(quinolin-2-ylmethylidene)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

273.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08626 161.1
[M+Na]+ 296.06820 177.8
[M+NH4]+ 291.11280 170.8
[M+K]+ 312.04214 170.6
[M-H]- 272.07170 167.6
[M+Na-2H]- 294.05365 169.0
[M]+ 273.07843 165.5
[M]- 273.07953 165.5
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.