CID 406096

Nsc724039

Structural Information

Molecular Formula
C17H12ClN5O2
SMILES
C1=CC=C(C=C1)NC2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN5O2/c18-11-6-8-13(9-7-11)23-10-14(24)15(22-23)16-20-21-17(25-16)19-12-4-2-1-3-5-12/h1-10,24H,(H,19,21)
InChIKey
MSCYCDDWOWJYKP-UHFFFAOYSA-N
Compound name
3-(5-anilino-1,3,4-oxadiazol-2-yl)-1-(4-chlorophenyl)pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.06796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07524 177.4
[M+Na]+ 376.05718 188.7
[M-H]- 352.06068 186.2
[M+NH4]+ 371.10178 186.7
[M+K]+ 392.03112 182.4
[M+H-H2O]+ 336.06522 166.4
[M+HCOO]- 398.06616 194.9
[M+CH3COO]- 412.08181 188.5
[M+Na-2H]- 374.04263 180.5
[M]+ 353.06741 182.0
[M]- 353.06851 182.0
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.