CID 24304

2-(diethylamino)-5-phenyl-1,3,4-oxadiazole hydrochloride

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCN(CC)C1=NN=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
MRXYSWDEIZTLGG-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.1215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.5
[M+Na]+ 240.11072 161.6
[M+NH4]+ 235.15532 156.5
[M+K]+ 256.08466 157.1
[M-H]- 216.11422 153.4
[M+Na-2H]- 238.09617 156.7
[M]+ 217.12095 151.7
[M]- 217.12205 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe