CID 135429359

4-methyl-2-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C14H11N3O2
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=CC=CC=N3
InChI
InChI=1S/C14H11N3O2/c1-9-5-6-12(18)10(8-9)14-16-13(17-19-14)11-4-2-3-7-15-11/h2-8,18H,1H3
InChIKey
KQJSNMFEKZQXPW-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.08513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 155.7
[M+Na]+ 276.07435 166.0
[M-H]- 252.07785 161.9
[M+NH4]+ 271.11895 168.3
[M+K]+ 292.04829 162.1
[M+H-H2O]+ 236.08239 146.1
[M+HCOO]- 298.08333 176.1
[M+CH3COO]- 312.09898 168.1
[M+Na-2H]- 274.05980 161.1
[M]+ 253.08458 157.2
[M]- 253.08568 157.2
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