CID 3238389

863588-32-3

Structural Information

Molecular Formula
C20H25ClN4O2
SMILES
C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H25ClN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)
InChIKey
CHMQQIFPOIZPIJ-UHFFFAOYSA-N
Compound name
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

388.1666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17388 193.5
[M+Na]+ 411.15582 208.8
[M+NH4]+ 406.20042 199.9
[M+K]+ 427.12976 200.3
[M-H]- 387.15932 198.9
[M+Na-2H]- 409.14127 201.6
[M]+ 388.16605 197.4
[M]- 388.16715 197.4
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

patents stripe