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]+ 281.09206 164.3
[M+Na]+ 303.07400 175.5
[M-H]- 279.07750 169.5
[M+NH4]+ 298.11860 178.4
[M+K]+ 319.04794 170.1
[M+H-H2O]+ 263.08204 149.7
[M+HCOO]- 325.08298 181.0
[M+CH3COO]- 339.09863 174.9
[M+Na-2H]- 301.05945 167.4
[M]+ 280.08423 161.5
[M]- 280.08533 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.