CID 230788

2-(morpholin-4-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1COCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C14H14N2O3/c17-14(18)11-9-13(16-5-7-19-8-6-16)15-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,17,18)
InChIKey
SXKAHOLXYICUEG-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

258.10043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.2
[M+Na]+ 281.08965 163.4
[M-H]- 257.09315 160.7
[M+NH4]+ 276.13425 169.6
[M+K]+ 297.06359 160.7
[M+H-H2O]+ 241.09769 147.9
[M+HCOO]- 303.09863 171.6
[M+CH3COO]- 317.11428 167.5
[M+Na-2H]- 279.07510 163.0
[M]+ 258.09988 154.2
[M]- 258.10098 154.2
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