CID 126817959

Tert-butyl 4-[3-(piperidin-3-yl)-1h-pyrazol-5-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H29N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2)C3CCCNC3
InChI
InChI=1S/C17H29N5O2/c1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-11-14(19-20-15)13-5-4-6-18-12-13/h11,13,18H,4-10,12H2,1-3H3,(H,19,20)
InChIKey
GOQWAWXADUAUIT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.23212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23940 186.9
[M+Na]+ 358.22134 188.6
[M-H]- 334.22484 185.8
[M+NH4]+ 353.26594 193.3
[M+K]+ 374.19528 183.9
[M+H-H2O]+ 318.22938 175.8
[M+HCOO]- 380.23032 192.0
[M+CH3COO]- 394.24597 203.1
[M+Na-2H]- 356.20679 184.2
[M]+ 335.23157 177.2
[M]- 335.23267 177.2
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.