CID 4369550

2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol

Structural Information

Molecular Formula
C17H11NO3
SMILES
C1=CC2=C(C=CC=C2O)C(=C1)C3=NC4=C(O3)C=C(C=C4)O
InChI
InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
InChIKey
JHOZVRGNIYFYHE-UHFFFAOYSA-N
Compound name
2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

277.07388 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 159.5
[M+Na]+ 300.06310 171.2
[M-H]- 276.06660 166.4
[M+NH4]+ 295.10770 175.8
[M+K]+ 316.03704 166.3
[M+H-H2O]+ 260.07114 152.2
[M+HCOO]- 322.07208 179.9
[M+CH3COO]- 336.08773 172.5
[M+Na-2H]- 298.04855 167.0
[M]+ 277.07333 162.8
[M]- 277.07443 162.8
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.