CID 59413

102504-39-2

Structural Information

Molecular Formula
C15H22ClN3O
SMILES
CCN(CC)CCCC1=NNC(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H22ClN3O/c1-3-19(4-2)11-5-6-14-17-18-15(20-14)12-7-9-13(16)10-8-12/h7-10,15,18H,3-6,11H2,1-2H3
InChIKey
GYOULZGADJBDBN-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14514 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15242 170.4
[M+Na]+ 318.13436 182.5
[M+NH4]+ 313.17896 177.7
[M+K]+ 334.10830 177.1
[M-H]- 294.13786 174.5
[M+Na-2H]- 316.11981 176.0
[M]+ 295.14459 173.5
[M]- 295.14569 173.5
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.