CID 71630721

(r)-tert-butyl 3-((2,4-dichloropyrimidin-5-yl)methoxy)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H21Cl2N3O3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)OCC2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C15H21Cl2N3O3/c1-15(2,3)23-14(21)20-6-4-5-11(8-20)22-9-10-7-18-13(17)19-12(10)16/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKey
FFEPLPUYPGZTHY-LLVKDONJSA-N
Compound name
tert-butyl (3R)-3-[(2,4-dichloropyrimidin-5-yl)methoxy]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10328 180.6
[M+Na]+ 384.08522 193.2
[M+NH4]+ 379.12982 186.3
[M+K]+ 400.05916 187.2
[M-H]- 360.08872 181.0
[M+Na-2H]- 382.07067 185.5
[M]+ 361.09545 182.9
[M]- 361.09655 182.9
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.