CID 15954317

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

Structural Information

Molecular Formula
C14H16N4O2
SMILES
C/C(=N\OCC1=NN=C(O1)NCC=C)/C2=CC=CC=C2
InChI
InChI=1S/C14H16N4O2/c1-3-9-15-14-17-16-13(20-14)10-19-18-11(2)12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3,(H,15,17)/b18-11+
InChIKey
YGVRDUMUQWQARW-WOJGMQOQSA-N
Compound name
5-[[(E)-1-phenylethylideneamino]oxymethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 162.8
[M+Na]+ 295.11654 169.1
[M-H]- 271.12004 168.7
[M+NH4]+ 290.16114 176.4
[M+K]+ 311.09048 167.1
[M+H-H2O]+ 255.12458 152.9
[M+HCOO]- 317.12552 187.7
[M+CH3COO]- 331.14117 203.5
[M+Na-2H]- 293.10199 168.4
[M]+ 272.12677 165.7
[M]- 272.12787 165.7
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.