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

6
Patents

212.08287 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090146 147.0
[M+Na]+ 235.072088 155.1
[M-H]- 211.075594 147.2
[M+NH4]+ 230.116693 160.8
[M+K]+ 251.046028 150.6
[M+H-H2O]+ 195.080130 137.1
[M+HCOO]- 257.081071 158.3
[M+CH3COO]- 271.096721 157.7
[M+Na-2H]- 233.057536 152.5
[M]+ 212.08232142 144.4
[M]- 212.08341858 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