CID 382364

Nsc669834

Structural Information

Molecular Formula
C15H14FN3O2
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)F
InChI
InChI=1S/C15H14FN3O2/c1-19-15(11-3-4-13(20-2)12(16)9-11)21-14(18-19)10-5-7-17-8-6-10/h3-9,15H,1-2H3
InChIKey
OLGDESGVPRPAQJ-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11428 164.5
[M+Na]+ 310.09622 174.7
[M-H]- 286.09972 170.4
[M+NH4]+ 305.14082 176.6
[M+K]+ 326.07016 171.1
[M+H-H2O]+ 270.10426 153.6
[M+HCOO]- 332.10520 183.6
[M+CH3COO]- 346.12085 176.3
[M+Na-2H]- 308.08167 167.4
[M]+ 287.10645 166.1
[M]- 287.10755 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.