CID 15954323

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

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C/C(=N\OCC1=NN=C(O1)C2=CC=C(C=C2)N)/C3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c1-12(13-5-3-2-4-6-13)21-22-11-16-19-20-17(23-16)14-7-9-15(18)10-8-14/h2-10H,11,18H2,1H3/b21-12+
InChIKey
NGEDXUALCDTNAM-CIAFOILYSA-N
Compound name
4-[5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 171.4
[M+Na]+ 331.11654 178.4
[M-H]- 307.12004 180.4
[M+NH4]+ 326.16114 183.2
[M+K]+ 347.09048 175.3
[M+H-H2O]+ 291.12458 160.7
[M+HCOO]- 353.12552 195.9
[M+CH3COO]- 367.14117 182.8
[M+Na-2H]- 329.10199 176.1
[M]+ 308.12677 173.0
[M]- 308.12787 173.0
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.