CID 15954167

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

Structural Information

Molecular Formula
C18H17N3O3
SMILES
C/C(=N\OCC1=NN=C(O1)COC2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O3/c1-14(15-8-4-2-5-9-15)21-23-13-18-20-19-17(24-18)12-22-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3/b21-14+
InChIKey
UHSMTSCXWLNYQZ-KGENOOAVSA-N
Compound name
(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 174.3
[M+Na]+ 346.11620 180.6
[M-H]- 322.11970 183.2
[M+NH4]+ 341.16080 185.6
[M+K]+ 362.09014 178.3
[M+H-H2O]+ 306.12424 163.3
[M+HCOO]- 368.12518 198.1
[M+CH3COO]- 382.14083 209.2
[M+Na-2H]- 344.10165 179.6
[M]+ 323.12643 178.7
[M]- 323.12753 178.7
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.