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 173.5
[M+Na]+ 358.08972 179.4
[M-H]- 334.09322 176.3
[M+NH4]+ 353.13432 183.5
[M+K]+ 374.06366 177.5
[M+H-H2O]+ 318.09776 166.1
[M+HCOO]- 380.09870 186.2
[M+CH3COO]- 394.11435 206.4
[M+Na-2H]- 356.07517 174.3
[M]+ 335.09995 170.9
[M]- 335.10105 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.