CID 18697980

203519-88-4

Structural Information

Molecular Formula
C13H19ClN4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3
InChIKey
OKGUCUQGOHTRAC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

298.11966 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12694 168.3
[M+Na]+ 321.10888 180.6
[M+NH4]+ 316.15348 174.0
[M+K]+ 337.08282 175.4
[M-H]- 297.11238 168.5
[M+Na-2H]- 319.09433 173.9
[M]+ 298.11911 170.2
[M]- 298.12021 170.2
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