CID 118526888

1622426-18-9

Structural Information

Molecular Formula
C14H22N4O3
SMILES
CC1=CN(N=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N4O3/c1-11-9-15-18(10-11)12(19)16-5-7-17(8-6-16)13(20)21-14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKey
HJQWRDQCFRVZTL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

294.1692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.176476 171.8
[M+Na]+ 317.158418 177.6
[M-H]- 293.161924 173.0
[M+NH4]+ 312.203023 183.6
[M+K]+ 333.132358 176.0
[M+H-H2O]+ 277.166460 162.7
[M+HCOO]- 339.167401 184.8
[M+CH3COO]- 353.183051 199.7
[M+Na-2H]- 315.143866 171.5
[M]+ 294.16865142 171.0
[M]- 294.16974858 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe