CID 15954157

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

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
C/C(=N\OCCC1=NNC(=S)O1)/C2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2S/c1-9(10-5-3-2-4-6-10)15-16-8-7-11-13-14-12(18)17-11/h2-6H,7-8H2,1H3,(H,14,18)/b15-9+
InChIKey
CHYWEEUZUZTCIB-OQLLNIDSSA-N
Compound name
5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07285 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 157.9
[M+Na]+ 286.06207 166.4
[M-H]- 262.06557 163.2
[M+NH4]+ 281.10667 172.6
[M+K]+ 302.03601 163.1
[M+H-H2O]+ 246.07011 149.8
[M+HCOO]- 308.07105 176.2
[M+CH3COO]- 322.08670 193.7
[M+Na-2H]- 284.04752 160.6
[M]+ 263.07230 161.3
[M]- 263.07340 161.3
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.