CID 207813

30831-75-5

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]+ 296.128126 168.4
[M+Na]+ 318.110068 175.2
[M-H]- 294.113574 174.1
[M+NH4]+ 313.154673 182.9
[M+K]+ 334.084008 171.4
[M+H-H2O]+ 278.118110 159.0
[M+HCOO]- 340.119051 188.1
[M+CH3COO]- 354.134701 201.8
[M+Na-2H]- 316.095516 173.8
[M]+ 295.12030142 170.0
[M]- 295.12139858 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.