CID 135429449

1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol

Structural Information

Molecular Formula
C16H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NO3)C4=COC=C4)O
InChI
InChI=1S/C16H10N2O3/c19-13-6-5-10-3-1-2-4-12(10)14(13)16-17-15(18-21-16)11-7-8-20-9-11/h1-9,19H
InChIKey
NRURIVQXLZJCFM-UHFFFAOYSA-N
Compound name
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.06915 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07643 158.0
[M+Na]+ 301.05837 169.7
[M-H]- 277.06187 167.9
[M+NH4]+ 296.10297 172.5
[M+K]+ 317.03231 167.0
[M+H-H2O]+ 261.06641 150.6
[M+HCOO]- 323.06735 180.4
[M+CH3COO]- 337.08300 171.7
[M+Na-2H]- 299.04382 163.7
[M]+ 278.06860 162.9
[M]- 278.06970 162.9
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

patents stripe