CID 3002918

Methyl 2-cyclohexylquinoline-3-carboxylate

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC(=O)C1=CC2=CC=CC=C2N=C1C3CCCCC3
InChI
InChI=1S/C17H19NO2/c1-20-17(19)14-11-13-9-5-6-10-15(13)18-16(14)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3
InChIKey
QJNRXYTUJDTLTI-UHFFFAOYSA-N
Compound name
methyl 2-cyclohexylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.14157 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.7
[M+Na]+ 292.13079 168.0
[M-H]- 268.13429 167.8
[M+NH4]+ 287.17539 178.2
[M+K]+ 308.10473 164.1
[M+H-H2O]+ 252.13883 153.7
[M+HCOO]- 314.13977 179.7
[M+CH3COO]- 328.15542 173.2
[M+Na-2H]- 290.11624 166.6
[M]+ 269.14102 159.8
[M]- 269.14212 159.8
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.