CID 207810

Brn 4142593

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCCOC(=O)N1C(C=CC2=CC=CC=C21)OC
InChI
InChI=1S/C14H17NO3/c1-3-10-18-14(16)15-12-7-5-4-6-11(12)8-9-13(15)17-2/h4-9,13H,3,10H2,1-2H3
InChIKey
MCLOPXVYPGACGR-UHFFFAOYSA-N
Compound name
propyl 2-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.7
[M+Na]+ 270.11007 163.2
[M-H]- 246.11357 158.6
[M+NH4]+ 265.15467 173.0
[M+K]+ 286.08401 161.0
[M+H-H2O]+ 230.11811 148.2
[M+HCOO]- 292.11905 175.6
[M+CH3COO]- 306.13470 193.8
[M+Na-2H]- 268.09552 161.0
[M]+ 247.12030 158.9
[M]- 247.12140 158.9
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.