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]+ 227.105806 151.9
[M+Na]+ 249.087748 160.6
[M-H]- 225.091254 152.4
[M+NH4]+ 244.132353 165.4
[M+K]+ 265.061688 155.8
[M+H-H2O]+ 209.095790 142.1
[M+HCOO]- 271.096731 162.9
[M+CH3COO]- 285.112381 162.5
[M+Na-2H]- 247.073196 156.0
[M]+ 226.09798142 150.1
[M]- 226.09907858 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.