CID 135429434

2-ethoxy-6-[3-[5-(trifluoromethyl)-2-pyridyl]-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C16H12F3N3O3
SMILES
CCOC1=CC=CC(=C1O)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H12F3N3O3/c1-2-24-12-5-3-4-10(13(12)23)15-21-14(22-25-15)11-7-6-9(8-20-11)16(17,18)19/h3-8,23H,2H2,1H3
InChIKey
JDMCDKXNEUSPQW-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.08307 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09035 177.5
[M+Na]+ 374.07229 188.1
[M-H]- 350.07579 180.0
[M+NH4]+ 369.11689 186.2
[M+K]+ 390.04623 183.5
[M+H-H2O]+ 334.08033 165.2
[M+HCOO]- 396.08127 192.5
[M+CH3COO]- 410.09692 208.2
[M+Na-2H]- 372.05774 180.3
[M]+ 351.08252 177.7
[M]- 351.08362 177.7
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