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]+ 294.123696 167.1
[M+Na]+ 316.105638 174.1
[M-H]- 292.109144 176.1
[M+NH4]+ 311.150243 179.7
[M+K]+ 332.079578 171.4
[M+H-H2O]+ 276.113680 156.5
[M+HCOO]- 338.114621 191.1
[M+CH3COO]- 352.130271 178.9
[M+Na-2H]- 314.091086 172.8
[M]+ 293.11587142 169.8
[M]- 293.11696858 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.