CID 406094

Nsc724037

Structural Information

Molecular Formula
C17H11ClN4O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN4O2/c18-12-6-8-13(9-7-12)22-10-14(23)15(21-22)17-20-19-16(24-17)11-4-2-1-3-5-11/h1-10,23H
InChIKey
PFEPZIMNLUUCBV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.05707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06435 174.3
[M+Na]+ 361.04629 186.5
[M-H]- 337.04979 182.9
[M+NH4]+ 356.09089 184.4
[M+K]+ 377.02023 180.2
[M+H-H2O]+ 321.05433 163.5
[M+HCOO]- 383.05527 190.7
[M+CH3COO]- 397.07092 185.9
[M+Na-2H]- 359.03174 176.4
[M]+ 338.05652 179.3
[M]- 338.05762 179.3
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.