CID 5287551

3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol

Structural Information

Molecular Formula
C17H11NO3
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C3=NOC4=C3C=CC(=C4)O
InChI
InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
InChIKey
LCGSYJVWLGYWTD-UHFFFAOYSA-N
Compound name
3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

277.07388 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe