CID 36096773

1170433-01-8

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 191.1
[M+Na]+ 401.13509 197.7
[M-H]- 377.13859 195.7
[M+NH4]+ 396.17969 198.5
[M+K]+ 417.10903 193.9
[M+H-H2O]+ 361.14313 180.1
[M+HCOO]- 423.14407 198.8
[M+CH3COO]- 437.15972 213.6
[M+Na-2H]- 399.12054 191.0
[M]+ 378.14532 193.1
[M]- 378.14642 193.1
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.