CID 466923

1-(furan-2-carbonyl)-6-methoxy-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C16H12N2O3
SMILES
COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)C3=CC=CO3
InChI
InChI=1S/C16H12N2O3/c1-20-13-6-7-14-11(9-13)4-5-12(10-17)18(14)16(19)15-3-2-8-21-15/h2-9,12H,1H3
InChIKey
CEHWOCJKOOFENO-UHFFFAOYSA-N
Compound name
1-(furan-2-carbonyl)-6-methoxy-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 164.3
[M+Na]+ 303.073998 175.5
[M-H]- 279.077504 169.5
[M+NH4]+ 298.118603 178.4
[M+K]+ 319.047938 170.1
[M+H-H2O]+ 263.082040 149.7
[M+HCOO]- 325.082981 181.0
[M+CH3COO]- 339.098631 174.9
[M+Na-2H]- 301.059446 167.4
[M]+ 280.08423142 161.5
[M]- 280.08532858 161.5
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

No patent data available for this compound.