CID 59409

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

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCN(CC)CCC1=NNC(O1)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H23N3O/c1-4-18(5-2)11-10-14-16-17-15(19-14)13-8-6-12(3)7-9-13/h6-9,15,17H,4-5,10-11H2,1-3H3
InChIKey
YCTUYKMRANLCED-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 164.5
[M+Na]+ 284.17332 170.3
[M-H]- 260.17682 168.8
[M+NH4]+ 279.21792 178.8
[M+K]+ 300.14726 168.1
[M+H-H2O]+ 244.18136 155.5
[M+HCOO]- 306.18230 184.6
[M+CH3COO]- 320.19795 200.6
[M+Na-2H]- 282.15877 166.8
[M]+ 261.18355 165.8
[M]- 261.18465 165.8
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.