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 149.7
[M+Na]+ 249.08775 162.4
[M+NH4]+ 244.13235 157.7
[M+K]+ 265.06169 154.9
[M-H]- 225.09125 152.5
[M+Na-2H]- 247.07320 157.3
[M]+ 226.09798 152.4
[M]- 226.09908 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.