CID 63603025

4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine

Structural Information

Molecular Formula
C10H15ClN4
SMILES
CC1CN(CCN1C)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C10H15ClN4/c1-8-6-15(4-3-14(8)2)10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKey
POUAVIFXBYKVTI-UHFFFAOYSA-N
Compound name
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09853 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10581 151.9
[M+Na]+ 249.08775 160.6
[M-H]- 225.09125 152.4
[M+NH4]+ 244.13235 165.4
[M+K]+ 265.06169 155.8
[M+H-H2O]+ 209.09579 142.1
[M+HCOO]- 271.09673 162.9
[M+CH3COO]- 285.11238 162.5
[M+Na-2H]- 247.07320 156.0
[M]+ 226.09798 150.1
[M]- 226.09908 150.1
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.