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

2
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

literature stripe

Patent stripe

patents stripe