CID 162345031

Ns00132727

Structural Information

Molecular Formula
C16H19NO4
SMILES
C=C([C@H](CCNCO)OC1=CC=CC2=C1C=CC=C2O)O
InChI
InChI=1S/C16H19NO4/c1-11(19)15(8-9-17-10-18)21-16-7-3-4-12-13(16)5-2-6-14(12)20/h2-7,15,17-20H,1,8-10H2/t15-/m0/s1
InChIKey
AZNKPZRUQDTBML-HNNXBMFYSA-N
Compound name
5-[(3S)-2-hydroxy-5-(hydroxymethylamino)pent-1-en-3-yl]oxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 165.8
[M+Na]+ 312.120618 170.5
[M-H]- 288.124124 165.8
[M+NH4]+ 307.165223 179.8
[M+K]+ 328.094558 166.5
[M+H-H2O]+ 272.128660 159.1
[M+HCOO]- 334.129601 183.3
[M+CH3COO]- 348.145251 199.2
[M+Na-2H]- 310.106066 168.8
[M]+ 289.13085142 165.2
[M]- 289.13194858 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.