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]+ 295.17648 171.8
[M+Na]+ 317.15842 177.6
[M-H]- 293.16192 173.0
[M+NH4]+ 312.20302 183.6
[M+K]+ 333.13236 176.0
[M+H-H2O]+ 277.16646 162.7
[M+HCOO]- 339.16740 184.8
[M+CH3COO]- 353.18305 199.7
[M+Na-2H]- 315.14387 171.5
[M]+ 294.16865 171.0
[M]- 294.16975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.