CID 466910

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

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(C)COC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N
InChI
InChI=1S/C16H18N2O3/c1-11(2)10-21-16(19)18-13(9-17)5-4-12-8-14(20-3)6-7-15(12)18/h4-8,11,13H,10H2,1-3H3
InChIKey
QUUJQNVOENPEAM-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.9
[M+Na]+ 309.12096 175.1
[M-H]- 285.12446 168.0
[M+NH4]+ 304.16556 179.8
[M+K]+ 325.09490 171.0
[M+H-H2O]+ 269.12900 152.0
[M+HCOO]- 331.12994 180.8
[M+CH3COO]- 345.14559 213.1
[M+Na-2H]- 307.10641 167.9
[M]+ 286.13119 163.7
[M]- 286.13229 163.7
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.