CID 59407

Delta(sup 4)-1,2,4-oxadiazoline, 5-(2-(diethylamino)ethyl)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C14H21N3O
SMILES
CCN(CC)CCC1=NNC(O1)C2=CC=CC=C2
InChI
InChI=1S/C14H21N3O/c1-3-17(4-2)11-10-13-15-16-14(18-13)12-8-6-5-7-9-12/h5-9,14,16H,3-4,10-11H2,1-2H3
InChIKey
XLAKDMZVJJXGRD-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-phenyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.5
[M+Na]+ 270.15768 164.8
[M-H]- 246.16118 163.6
[M+NH4]+ 265.20228 174.0
[M+K]+ 286.13162 162.9
[M+H-H2O]+ 230.16572 150.4
[M+HCOO]- 292.16666 179.9
[M+CH3COO]- 306.18231 196.4
[M+Na-2H]- 268.14313 163.2
[M]+ 247.16791 160.0
[M]- 247.16901 160.0
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.