CID 11154555

Cariprazine

Structural Information

Molecular Formula
C21H32Cl2N4O
SMILES
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)
InChIKey
KPWSJANDNDDRMB-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

255
References

3614
Patents

426.1953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20258 204.7
[M+Na]+ 449.18452 206.6
[M-H]- 425.18802 209.8
[M+NH4]+ 444.22912 212.8
[M+K]+ 465.15846 200.7
[M+H-H2O]+ 409.19256 194.1
[M+HCOO]- 471.19350 209.0
[M+CH3COO]- 485.20915 232.3
[M+Na-2H]- 447.16997 200.6
[M]+ 426.19475 201.2
[M]- 426.19585 201.2
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