CID 466922

1-(furan-2-carbonyl)-1,2-dihydroquinoline-2-carbonitrile

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C2C(=C1)C=CC(N2C(=O)C3=CC=CO3)C#N
InChI
InChI=1S/C15H10N2O2/c16-10-12-8-7-11-4-1-2-5-13(11)17(12)15(18)14-6-3-9-19-14/h1-9,12H
InChIKey
VUJBNBLXFORPGS-UHFFFAOYSA-N
Compound name
1-(furan-2-carbonyl)-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 157.9
[M+Na]+ 273.06345 169.0
[M-H]- 249.06695 163.0
[M+NH4]+ 268.10805 173.0
[M+K]+ 289.03739 163.0
[M+H-H2O]+ 233.07149 143.4
[M+HCOO]- 295.07243 174.8
[M+CH3COO]- 309.08808 168.8
[M+Na-2H]- 271.04890 162.0
[M]+ 250.07368 153.2
[M]- 250.07478 153.2
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.