CID 15954312

(1e)-1-phenylethanone o-{2-[5-(benzylamino)-1,3,4-oxadiazol-2-yl]ethyl}oxime

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C/C(=N\OCCC1=NN=C(O1)NCC2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C19H20N4O2/c1-15(17-10-6-3-7-11-17)23-24-13-12-18-21-22-19(25-18)20-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,20,22)/b23-15+
InChIKey
XUBPLGVFLRNICK-HZHRSRAPSA-N
Compound name
N-benzyl-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

336.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.0
[M+Na]+ 359.14785 184.1
[M-H]- 335.15135 187.7
[M+NH4]+ 354.19245 189.5
[M+K]+ 375.12179 181.0
[M+H-H2O]+ 319.15589 167.6
[M+HCOO]- 381.15683 203.3
[M+CH3COO]- 395.17248 215.0
[M+Na-2H]- 357.13330 184.5
[M]+ 336.15808 181.7
[M]- 336.15918 181.7
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.