CID 2729879

Maybridge3_005321

Structural Information

Molecular Formula

C₁₇H₁₂ClN₅O

SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C4=NN=C(O4)N

InChI

InChI=1S/C17H12ClN5O/c18-12-8-6-11(7-9-12)15-14(16-20-21-17(19)24-16)10-23(22-15)13-4-2-1-3-5-13/h1-10H,(H2,19,21)

InChIKey

UNFDCRIDJOHUHP-UHFFFAOYSA-N

Compound name

5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 337.07303 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.080306	175.9
[M+Na]+	360.062248	187.9
[M-H]-	336.065754	185.3
[M+NH4]+	355.106853	186.3
[M+K]+	376.036188	181.3
[M+H-H2O]+	320.070290	164.7
[M+HCOO]-	382.071231	194.0
[M+CH3COO]-	396.086881	187.5
[M+Na-2H]-	358.047696	178.1
[M]+	337.07248142	179.9
[M]-	337.07357858	179.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.