CID 21906116

442199-19-1

Structural Information

Molecular Formula
C14H20ClN3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=NC=N2)Cl
InChI
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-6-4-10(5-7-18)20-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3
InChIKey
OJIDDXUJOFGRCN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-chloropyrimidin-4-yl)oxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

313.11932 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12660 172.2
[M+Na]+ 336.10854 178.6
[M-H]- 312.11204 174.1
[M+NH4]+ 331.15314 183.4
[M+K]+ 352.08248 175.3
[M+H-H2O]+ 296.11658 163.0
[M+HCOO]- 358.11752 181.7
[M+CH3COO]- 372.13317 201.8
[M+Na-2H]- 334.09399 175.2
[M]+ 313.11877 173.4
[M]- 313.11987 173.4
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

patents stripe