CID 135429448

Schembl6454618

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=COC=C3
InChI
InChI=1S/C13H10N2O3/c1-8-2-3-11(16)10(6-8)13-14-12(15-18-13)9-4-5-17-7-9/h2-7,16H,1H3
InChIKey
IDFXFOAUEWZYPO-UHFFFAOYSA-N
Compound name
2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.06914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 148.7
[M+Na]+ 265.058358 160.3
[M-H]- 241.061864 157.8
[M+NH4]+ 260.102963 164.0
[M+K]+ 281.032298 158.8
[M+H-H2O]+ 225.066400 141.7
[M+HCOO]- 287.067341 172.4
[M+CH3COO]- 301.082991 163.2
[M+Na-2H]- 263.043806 153.7
[M]+ 242.06859142 153.9
[M]- 242.06968858 153.9
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