CID 133052762

Dtxsid10891603

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(CCC(=O)O)N(C=O)C1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C16H18N2O4/c1-11(5-6-15(20)21)18(10-19)14-9-13(22-2)8-12-4-3-7-17-16(12)14/h3-4,7-11H,5-6H2,1-2H3,(H,20,21)
InChIKey
HWLCTPIUUFQVEK-UHFFFAOYSA-N
Compound name
4-[formyl-(6-methoxyquinolin-8-yl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 168.6
[M+Na]+ 325.115868 174.6
[M-H]- 301.119374 171.4
[M+NH4]+ 320.160473 182.7
[M+K]+ 341.089808 172.8
[M+H-H2O]+ 285.123910 160.4
[M+HCOO]- 347.124851 188.5
[M+CH3COO]- 361.140501 209.0
[M+Na-2H]- 323.101316 172.0
[M]+ 302.12610142 172.7
[M]- 302.12719858 172.7
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

No patent data available for this compound.