CID 167530378

1-amino-2-naphthol glucoronide

Structural Information

Molecular Formula
C16H17NO7
SMILES
C1=CC=C2C(=C1)C=CC(=C2N)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C16H17NO7/c17-10-8-4-2-1-3-7(8)5-6-9(10)23-16-13(20)11(18)12(19)14(24-16)15(21)22/h1-6,11-14,16,18-20H,17H2,(H,21,22)
InChIKey
IPCGDYWLWNXXCW-UHFFFAOYSA-N
Compound name
6-(1-aminonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10778 174.4
[M+Na]+ 358.08972 184.1
[M+NH4]+ 353.13432 179.1
[M+K]+ 374.06366 181.8
[M-H]- 334.09322 176.8
[M+Na-2H]- 356.07517 175.6
[M]+ 335.09995 175.9
[M]- 335.10105 175.9
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.