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 160.6
[M+Na]+ 296.06820 170.6
[M-H]- 272.07170 168.8
[M+NH4]+ 291.11280 177.8
[M+K]+ 312.04214 165.5
[M+H-H2O]+ 256.07624 152.5
[M+HCOO]- 318.07718 181.0
[M+CH3COO]- 332.09283 173.3
[M+Na-2H]- 294.05365 166.9
[M]+ 273.07843 161.4
[M]- 273.07953 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.