CID 138005997

2243507-35-7

Structural Information

Molecular Formula
C14H22F2N4O2
SMILES
CC(C)(C)OC(=O)NC1=C(N(N=C1)C2CCNCC2)C(F)F
InChI
InChI=1S/C14H22F2N4O2/c1-14(2,3)22-13(21)19-10-8-18-20(11(10)12(15)16)9-4-6-17-7-5-9/h8-9,12,17H,4-7H2,1-3H3,(H,19,21)
InChIKey
QPZVJWQYMISDEO-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17836 174.1
[M+Na]+ 339.16030 178.3
[M-H]- 315.16380 172.4
[M+NH4]+ 334.20490 185.1
[M+K]+ 355.13424 175.2
[M+H-H2O]+ 299.16834 163.7
[M+HCOO]- 361.16928 185.5
[M+CH3COO]- 375.18493 204.7
[M+Na-2H]- 337.14575 172.9
[M]+ 316.17053 167.4
[M]- 316.17163 167.4
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.