CID 135445467

33017-97-9

Structural Information

Molecular Formula
C12H18N4O
SMILES
CN1CCN(CC1)C2=NC3=C(CCC3)C(=O)N2
InChI
InChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)12-13-10-4-2-3-9(10)11(17)14-12/h2-8H2,1H3,(H,13,14,17)
InChIKey
HNUCZRIXNYRSNB-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

234.14806 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.3
[M+Na]+ 257.13728 163.6
[M-H]- 233.14078 156.6
[M+NH4]+ 252.18188 170.6
[M+K]+ 273.11122 158.7
[M+H-H2O]+ 217.14532 146.5
[M+HCOO]- 279.14626 169.5
[M+CH3COO]- 293.16191 166.1
[M+Na-2H]- 255.12273 158.3
[M]+ 234.14751 150.5
[M]- 234.14861 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.