CID 15549040

2-[carboxymethyl-[(8-hydroxy-2-quinolyl)methyl]amino]acetic acid

Structural Information

Molecular Formula
C14H14N2O5
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H14N2O5/c17-11-3-1-2-9-4-5-10(15-14(9)11)6-16(7-12(18)19)8-13(20)21/h1-5,17H,6-8H2,(H,18,19)(H,20,21)
InChIKey
SAFYBOCGWKJXQE-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[(8-hydroxyquinolin-2-yl)methyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.09027 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 162.2
[M+Na]+ 313.07949 168.0
[M-H]- 289.08299 162.7
[M+NH4]+ 308.12409 175.2
[M+K]+ 329.05343 165.8
[M+H-H2O]+ 273.08753 154.7
[M+HCOO]- 335.08847 180.0
[M+CH3COO]- 349.10412 200.7
[M+Na-2H]- 311.06494 165.9
[M]+ 290.08972 163.4
[M]- 290.09082 163.4
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

patents stripe