CID 53331282

Stl124612

Structural Information

Molecular Formula
C17H23N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2)C3=CN=CC=C3
InChI
InChI=1S/C17H23N5O2/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/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)
InChIKey
ULKMLGRIECBBJU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.18518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 178.8
[M+Na]+ 352.17440 189.7
[M+NH4]+ 347.21900 183.3
[M+K]+ 368.14834 187.2
[M-H]- 328.17790 179.5
[M+Na-2H]- 350.15985 184.8
[M]+ 329.18463 180.3
[M]- 329.18573 180.3
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.