CID 21737481

4-chloro-2-(4-methylpiperazin-1-yl)pyrimidine

Structural Information

Molecular Formula
C9H13ClN4
SMILES
CN1CCN(CC1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C9H13ClN4/c1-13-4-6-14(7-5-13)9-11-3-2-8(10)12-9/h2-3H,4-7H2,1H3
InChIKey
ZYWHXNPWXUXKSX-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-methylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.08287 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09015 147.0
[M+Na]+ 235.07209 155.1
[M-H]- 211.07559 147.2
[M+NH4]+ 230.11669 160.8
[M+K]+ 251.04603 150.6
[M+H-H2O]+ 195.08013 137.1
[M+HCOO]- 257.08107 158.3
[M+CH3COO]- 271.09672 157.7
[M+Na-2H]- 233.05754 152.5
[M]+ 212.08232 144.4
[M]- 212.08342 144.4
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

patents stripe