CID 121552964

2785406-19-9

Structural Information

Molecular Formula
C18H30N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3CCNCC3
InChI
InChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)22-10-6-14(7-11-22)16-12-15(20-21-16)13-4-8-19-9-5-13/h12-14,19H,4-11H2,1-3H3,(H,20,21)
InChIKey
VAXUGUBSFRWLHE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-piperidin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.23688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24416 186.4
[M+Na]+ 357.22610 187.7
[M-H]- 333.22960 186.4
[M+NH4]+ 352.27070 194.3
[M+K]+ 373.20004 183.0
[M+H-H2O]+ 317.23414 176.0
[M+HCOO]- 379.23508 192.5
[M+CH3COO]- 393.25073 203.0
[M+Na-2H]- 355.21155 183.3
[M]+ 334.23633 176.5
[M]- 334.23743 176.5
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.