CID 59403

102504-34-7

Structural Information

Molecular Formula
C15H20ClN3O
SMILES
C1CCN(C1)CCCC2=NNC(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H20ClN3O/c16-13-7-5-12(6-8-13)15-18-17-14(20-15)4-3-11-19-9-1-2-10-19/h5-8,15,18H,1-4,9-11H2
InChIKey
SFOZIJFGKOXBNF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1295 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13678 169.5
[M+Na]+ 316.11872 175.7
[M-H]- 292.12222 173.6
[M+NH4]+ 311.16332 182.6
[M+K]+ 332.09266 170.7
[M+H-H2O]+ 276.12676 159.8
[M+HCOO]- 338.12770 181.0
[M+CH3COO]- 352.14335 179.1
[M+Na-2H]- 314.10417 168.3
[M]+ 293.12895 167.9
[M]- 293.13005 167.9
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.