CID 503372

Gw 704x

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCC1=C(C2=C(C=CC(=C2)C#N)NC1=O)OC3CCCC3
InChI
InChI=1S/C18H20N2O2/c1-2-5-14-17(22-13-6-3-4-7-13)15-10-12(11-19)8-9-16(15)20-18(14)21/h8-10,13H,2-7H2,1H3,(H,20,21)
InChIKey
QOABECSISRASAC-UHFFFAOYSA-N
Compound name
4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

296.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.4
[M+Na]+ 319.14169 181.6
[M-H]- 295.14519 174.8
[M+NH4]+ 314.18629 185.9
[M+K]+ 335.11563 173.2
[M+H-H2O]+ 279.14973 157.2
[M+HCOO]- 341.15067 186.5
[M+CH3COO]- 355.16632 180.7
[M+Na-2H]- 317.12714 172.1
[M]+ 296.15192 165.6
[M]- 296.15302 165.6
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.