CID 27833

2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCOC1C=CC2=CC=CC=C2N1C(=O)OCC
InChI
InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3
InChIKey
GKQLYSROISKDLL-UHFFFAOYSA-N
Compound name
ethyl 2-ethoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

348
References

27123
Patents

247.12085 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe