CID 22309472

Tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H21ClN4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=NC=N2)Cl
InChI
InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)18-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKey
XLZGMUJBIFJFDO-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

312.1353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14258 174.0
[M+Na]+ 335.12452 179.6
[M-H]- 311.12802 175.8
[M+NH4]+ 330.16912 185.0
[M+K]+ 351.09846 175.6
[M+H-H2O]+ 295.13256 164.7
[M+HCOO]- 357.13350 184.4
[M+CH3COO]- 371.14915 204.7
[M+Na-2H]- 333.10997 177.4
[M]+ 312.13475 173.1
[M]- 312.13585 173.1
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

patents stripe