CID 36096773

Tert-butyl 4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate

Structural Information

Molecular Formula
C18H23ClN4O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H23ClN4O3/c1-18(2,3)25-17(24)23-10-8-22(9-11-23)12-15-20-16(21-26-15)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3
InChIKey
LYSPVWSXVZFPRK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15315 188.2
[M+Na]+ 401.13509 200.8
[M+NH4]+ 396.17969 193.3
[M+K]+ 417.10903 197.5
[M-H]- 377.13859 191.1
[M+Na-2H]- 399.12054 193.7
[M]+ 378.14532 191.0
[M]- 378.14642 191.0
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.