CID 466900

Propyl 2-cyano-6-methoxy-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCCOC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N
InChI
InChI=1S/C15H16N2O3/c1-3-8-20-15(18)17-12(10-16)5-4-11-9-13(19-2)6-7-14(11)17/h4-7,9,12H,3,8H2,1-2H3
InChIKey
SPTOFVPFYUKDRE-UHFFFAOYSA-N
Compound name
propyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.9
[M+Na]+ 295.105318 170.9
[M-H]- 271.108824 163.2
[M+NH4]+ 290.149923 175.5
[M+K]+ 311.079258 166.5
[M+H-H2O]+ 255.113360 147.1
[M+HCOO]- 317.114301 177.1
[M+CH3COO]- 331.129951 209.6
[M+Na-2H]- 293.090766 164.6
[M]+ 272.11555142 159.1
[M]- 272.11664858 159.1
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.