CID 15954163

1-phenyl-ethanone o-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-oxime

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C/C(=N\OCC1=NN=C(O1)C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O2/c1-13(14-8-4-2-5-9-14)20-21-12-16-18-19-17(22-16)15-10-6-3-7-11-15/h2-11H,12H2,1H3/b20-13+
InChIKey
OKWITKGNPLJQMU-DEDYPNTBSA-N
Compound name
(E)-1-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 167.1
[M+Na]+ 316.10564 174.1
[M-H]- 292.10914 176.1
[M+NH4]+ 311.15024 179.7
[M+K]+ 332.07958 171.4
[M+H-H2O]+ 276.11368 156.5
[M+HCOO]- 338.11462 191.1
[M+CH3COO]- 352.13027 178.9
[M+Na-2H]- 314.09109 172.8
[M]+ 293.11587 169.8
[M]- 293.11697 169.8
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

No patent data available for this compound.