CID 71630721

1421035-08-6

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 180.7
[M+Na]+ 384.08522 187.7
[M-H]- 360.08872 182.1
[M+NH4]+ 379.12982 190.8
[M+K]+ 400.05916 183.2
[M+H-H2O]+ 344.09326 171.9
[M+HCOO]- 406.09420 184.8
[M+CH3COO]- 420.10985 210.1
[M+Na-2H]- 382.07067 181.8
[M]+ 361.09545 183.7
[M]- 361.09655 183.7
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.