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 182.1
[M+Na]+ 352.17440 187.3
[M-H]- 328.17790 183.6
[M+NH4]+ 347.21900 189.7
[M+K]+ 368.14834 182.5
[M+H-H2O]+ 312.18244 170.8
[M+HCOO]- 374.18338 192.9
[M+CH3COO]- 388.19903 204.2
[M+Na-2H]- 350.15985 182.9
[M]+ 329.18463 178.3
[M]- 329.18573 178.3
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.