CID 15954171

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

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C/C(=N\OCCC1=NN=C(O1)NC2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2/c1-14(15-8-4-2-5-9-15)22-23-13-12-17-20-21-18(24-17)19-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,21)/b22-14+
InChIKey
LREIUFNCSOTCHY-HYARGMPZSA-N
Compound name
N-phenyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 174.6
[M+Na]+ 345.13219 180.1
[M-H]- 321.13569 183.4
[M+NH4]+ 340.17679 185.6
[M+K]+ 361.10613 177.2
[M+H-H2O]+ 305.14023 163.4
[M+HCOO]- 367.14117 199.2
[M+CH3COO]- 381.15682 185.4
[M+Na-2H]- 343.11764 180.5
[M]+ 322.14242 177.0
[M]- 322.14352 177.0
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.