CID 207813

Brn 4147830

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 183.5
[M+NH4]+ 313.15467 176.8
[M+K]+ 334.08401 175.3
[M-H]- 294.11357 172.8
[M+Na-2H]- 316.09552 177.0
[M]+ 295.12030 171.9
[M]- 295.12140 171.9
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.