CID 24706536

2-chloro-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

Structural Information

Molecular Formula
C11H15ClN4O
SMILES
CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)Cl
InChI
InChI=1S/C11H15ClN4O/c1-9(12)10(17)15-5-7-16(8-6-15)11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3
InChIKey
GVEMJAWJIRQBSJ-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09344 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10072 156.2
[M+Na]+ 277.08266 162.3
[M-H]- 253.08616 156.2
[M+NH4]+ 272.12726 167.8
[M+K]+ 293.05660 158.2
[M+H-H2O]+ 237.09070 146.0
[M+HCOO]- 299.09164 165.5
[M+CH3COO]- 313.10729 192.3
[M+Na-2H]- 275.06811 159.4
[M]+ 254.09289 153.6
[M]- 254.09399 153.6
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.