CID 124404

3-(2-furoyl)quinoline-2-carboxaldehyde

Structural Information

Molecular Formula
C15H9NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C=O)C(=O)C3=CC=CO3
InChI
InChI=1S/C15H9NO3/c17-9-13-11(15(18)14-6-3-7-19-14)8-10-4-1-2-5-12(10)16-13/h1-9H
InChIKey
PNCHURHVMDRFTR-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)quinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

164
Patents

251.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.065516 152.6
[M+Na]+ 274.047458 163.2
[M-H]- 250.050964 160.6
[M+NH4]+ 269.092063 169.7
[M+K]+ 290.021398 160.2
[M+H-H2O]+ 234.055500 145.1
[M+HCOO]- 296.056441 176.4
[M+CH3COO]- 310.072091 166.6
[M+Na-2H]- 272.032906 159.5
[M]+ 251.05769142 157.1
[M]- 251.05878858 157.1
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