CID 135429460

5-(2-hydroxyethoxy)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CC1=CC=CC=C1C2=NOC(=N2)C3=C(C=C(C=C3)OCCO)O
InChI
InChI=1S/C17H16N2O4/c1-11-4-2-3-5-13(11)16-18-17(23-19-16)14-7-6-12(10-15(14)21)22-9-8-20/h2-7,10,20-21H,8-9H2,1H3
InChIKey
ZLRASRKKJKFCON-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.9
[M+Na]+ 335.10022 179.9
[M-H]- 311.10372 177.1
[M+NH4]+ 330.14482 181.9
[M+K]+ 351.07416 176.1
[M+H-H2O]+ 295.10826 161.8
[M+HCOO]- 357.10920 190.6
[M+CH3COO]- 371.12485 182.1
[M+Na-2H]- 333.08567 174.0
[M]+ 312.11045 174.4
[M]- 312.11155 174.4
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