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]+ 273.12338 160.9
[M+Na]+ 295.10532 170.9
[M-H]- 271.10882 163.2
[M+NH4]+ 290.14992 175.5
[M+K]+ 311.07926 166.5
[M+H-H2O]+ 255.11336 147.1
[M+HCOO]- 317.11430 177.1
[M+CH3COO]- 331.12995 209.6
[M+Na-2H]- 293.09077 164.6
[M]+ 272.11555 159.1
[M]- 272.11665 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.