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]+ 248.175736 159.5
[M+Na]+ 270.157678 164.8
[M-H]- 246.161184 163.6
[M+NH4]+ 265.202283 174.0
[M+K]+ 286.131618 162.9
[M+H-H2O]+ 230.165720 150.4
[M+HCOO]- 292.166661 179.9
[M+CH3COO]- 306.182311 196.4
[M+Na-2H]- 268.143126 163.2
[M]+ 247.16791142 160.0
[M]- 247.16900858 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.