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]+ 227.10581 150.1
[M+Na]+ 249.08775 155.6
[M-H]- 225.09125 150.0
[M+NH4]+ 244.13235 163.4
[M+K]+ 265.06169 150.1
[M+H-H2O]+ 209.09579 140.9
[M+HCOO]- 271.09673 162.2
[M+CH3COO]- 285.11238 159.6
[M+Na-2H]- 247.07320 156.0
[M]+ 226.09798 144.6
[M]- 226.09908 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.