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
3
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]+ 274.086256 160.6
[M+Na]+ 296.068198 170.6
[M-H]- 272.071704 168.8
[M+NH4]+ 291.112803 177.8
[M+K]+ 312.042138 165.5
[M+H-H2O]+ 256.076240 152.5
[M+HCOO]- 318.077181 181.0
[M+CH3COO]- 332.092831 173.3
[M+Na-2H]- 294.053646 166.9
[M]+ 273.07843142 161.4
[M]- 273.07952858 161.4
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.