CID 45787061

4-chloro-n-[(piperidin-4-yl)methyl]pyrimidin-2-amine dihydrochloride

Structural Information

Molecular Formula
C10H15ClN4
SMILES
C1CNCCC1CNC2=NC=CC(=N2)Cl
InChI
InChI=1S/C10H15ClN4/c11-9-3-6-13-10(15-9)14-7-8-1-4-12-5-2-8/h3,6,8,12H,1-2,4-5,7H2,(H,13,14,15)
InChIKey
FYBVWPKSBSFVAX-UHFFFAOYSA-N
Compound name
4-chloro-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09853 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.105806 150.1
[M+Na]+ 249.087748 155.6
[M-H]- 225.091254 150.0
[M+NH4]+ 244.132353 163.4
[M+K]+ 265.061688 150.1
[M+H-H2O]+ 209.095790 140.9
[M+HCOO]- 271.096731 162.2
[M+CH3COO]- 285.112381 159.6
[M+Na-2H]- 247.073196 156.0
[M]+ 226.09798142 144.6
[M]- 226.09907858 144.6
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.