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
2
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]+ 336.107776 173.5
[M+Na]+ 358.089718 179.4
[M-H]- 334.093224 176.3
[M+NH4]+ 353.134323 183.5
[M+K]+ 374.063658 177.5
[M+H-H2O]+ 318.097760 166.1
[M+HCOO]- 380.098701 186.2
[M+CH3COO]- 394.114351 206.4
[M+Na-2H]- 356.075166 174.3
[M]+ 335.09995142 170.9
[M]- 335.10104858 170.9
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.