CID 127542

77229-68-6

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(CCC(=O)O)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C15H18N2O3/c1-10(5-6-14(18)19)17-13-9-12(20-2)8-11-4-3-7-16-15(11)13/h3-4,7-10,17H,5-6H2,1-2H3,(H,18,19)
InChIKey
KIMKJIXTIWKABF-UHFFFAOYSA-N
Compound name
4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

27
Patents

274.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 162.8
[M+Na]+ 297.120958 168.9
[M-H]- 273.124464 164.3
[M+NH4]+ 292.165563 177.6
[M+K]+ 313.094898 166.0
[M+H-H2O]+ 257.129000 155.0
[M+HCOO]- 319.129941 182.2
[M+CH3COO]- 333.145591 201.3
[M+Na-2H]- 295.106406 167.3
[M]+ 274.13119142 164.6
[M]- 274.13228858 164.6
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