CID 57232

Af 518

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
C1CC(NC1)CCCC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)15-19-18-14(20-15)5-1-3-13-4-2-10-17-13/h6-9,13,17H,1-5,10H2
InChIKey
YFXUKYBIDHIEHY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(3-pyrrolidin-2-ylpropyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 167.8
[M+Na]+ 314.10305 175.0
[M-H]- 290.10655 172.3
[M+NH4]+ 309.14765 181.1
[M+K]+ 330.07699 169.8
[M+H-H2O]+ 274.11109 158.1
[M+HCOO]- 336.11203 180.7
[M+CH3COO]- 350.12768 178.0
[M+Na-2H]- 312.08850 167.7
[M]+ 291.11328 167.6
[M]- 291.11438 167.6
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.