CID 207813

Benzyl 2-methoxyquinoline-1(2h)-carboxylate

Structural Information

Molecular Formula
C18H17NO3
SMILES
COC1C=CC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-21-17-12-11-15-9-5-6-10-16(15)19(17)18(20)22-13-14-7-3-2-4-8-14/h2-12,17H,13H2,1H3
InChIKey
VSUWLJBAVIYETB-UHFFFAOYSA-N
Compound name
benzyl 2-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 168.4
[M+Na]+ 318.11007 175.2
[M-H]- 294.11357 174.1
[M+NH4]+ 313.15467 182.9
[M+K]+ 334.08401 171.4
[M+H-H2O]+ 278.11811 159.0
[M+HCOO]- 340.11905 188.1
[M+CH3COO]- 354.13470 201.8
[M+Na-2H]- 316.09552 173.8
[M]+ 295.12030 170.0
[M]- 295.12140 170.0
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.