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 171.9
[M+Na]+ 318.13436 178.3
[M-H]- 294.13786 175.8
[M+NH4]+ 313.17896 185.5
[M+K]+ 334.10830 174.3
[M+H-H2O]+ 278.14240 163.0
[M+HCOO]- 340.14334 187.1
[M+CH3COO]- 354.15899 204.2
[M+Na-2H]- 316.11981 173.5
[M]+ 295.14459 175.0
[M]- 295.14569 175.0
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.