CID 138047230

2248409-69-8

Structural Information

Molecular Formula
C14H21F3N4O2
SMILES
CC(C)(C)OC(=O)NC1=C(N(N=C1)C2CCNCC2)C(F)(F)F
InChI
InChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-10-8-19-21(11(10)14(15,16)17)9-4-6-18-7-5-9/h8-9,18H,4-7H2,1-3H3,(H,20,22)
InChIKey
HKKQUWVGKVQRFC-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16893 177.2
[M+Na]+ 357.15087 182.1
[M-H]- 333.15437 174.4
[M+NH4]+ 352.19547 187.7
[M+K]+ 373.12481 178.6
[M+H-H2O]+ 317.15891 166.5
[M+HCOO]- 379.15985 186.8
[M+CH3COO]- 393.17550 206.4
[M+Na-2H]- 355.13632 177.6
[M]+ 334.16110 169.3
[M]- 334.16220 169.3
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.