CID 117685285

1636884-12-2

Structural Information

Molecular Formula
C14H19Cl2N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C14H19Cl2N3O2/c1-14(2,3)21-13(20)19-6-4-5-9(8-19)10-7-11(15)18-12(16)17-10/h7,9H,4-6,8H2,1-3H3
InChIKey
ASMZMGLKODDNNR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.08542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09270 174.1
[M+Na]+ 354.07464 181.8
[M-H]- 330.07814 175.7
[M+NH4]+ 349.11924 185.5
[M+K]+ 370.04858 176.8
[M+H-H2O]+ 314.08268 165.6
[M+HCOO]- 376.08362 178.4
[M+CH3COO]- 390.09927 205.2
[M+Na-2H]- 352.06009 175.6
[M]+ 331.08487 175.3
[M]- 331.08597 175.3
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