CID 5466057

Nsc673335

Structural Information

Molecular Formula
C14H15NO6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CNC(CO)C(=O)O)O
InChI
InChI=1S/C14H15NO6/c1-7-4-12(18)21-13-8(7)2-3-11(17)9(13)5-15-10(6-16)14(19)20/h2-4,10,15-17H,5-6H2,1H3,(H,19,20)
InChIKey
IYOFCNNMOBCILN-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08994 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 162.8
[M+Na]+ 316.07916 170.2
[M-H]- 292.08266 164.6
[M+NH4]+ 311.12376 175.7
[M+K]+ 332.05310 168.5
[M+H-H2O]+ 276.08720 156.2
[M+HCOO]- 338.08814 180.5
[M+CH3COO]- 352.10379 200.2
[M+Na-2H]- 314.06461 166.4
[M]+ 293.08939 165.2
[M]- 293.09049 165.2
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

No patent data available for this compound.