CID 15954325

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 175.9
[M+Na]+ 345.13219 182.4
[M-H]- 321.13569 184.7
[M+NH4]+ 340.17679 187.1
[M+K]+ 361.10613 179.2
[M+H-H2O]+ 305.14023 165.0
[M+HCOO]- 367.14117 200.0
[M+CH3COO]- 381.15682 186.8
[M+Na-2H]- 343.11764 180.1
[M]+ 322.14242 177.8
[M]- 322.14352 177.8
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.