CID 135429450

Schembl6461082

Structural Information

Molecular Formula
C13H10N2O4
SMILES
COC1=CC(=C(C=C1)C2=NC(=NO2)C3=COC=C3)O
InChI
InChI=1S/C13H10N2O4/c1-17-9-2-3-10(11(16)6-9)13-14-12(15-19-13)8-4-5-18-7-8/h2-7,16H,1H3
InChIKey
GRRNBTYEYSLTGJ-UHFFFAOYSA-N
Compound name
2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.06406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 151.3
[M+Na]+ 281.05328 162.7
[M-H]- 257.05678 160.4
[M+NH4]+ 276.09788 165.8
[M+K]+ 297.02722 161.8
[M+H-H2O]+ 241.06132 144.1
[M+HCOO]- 303.06226 175.2
[M+CH3COO]- 317.07791 165.6
[M+Na-2H]- 279.03873 156.4
[M]+ 258.06351 157.8
[M]- 258.06461 157.8
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

patents stripe