CID 10071196

Pimavanserin

Structural Information

Molecular Formula
C25H34FN3O2
SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C
InChI
InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
InChIKey
RKEWSXXUOLRFBX-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

216
References

4147
Patents

427.26352 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.27080 207.5
[M+Na]+ 450.25274 208.2
[M-H]- 426.25624 213.8
[M+NH4]+ 445.29734 215.1
[M+K]+ 466.22668 204.3
[M+H-H2O]+ 410.26078 194.9
[M+HCOO]- 472.26172 223.7
[M+CH3COO]- 486.27737 237.4
[M+Na-2H]- 448.23819 204.5
[M]+ 427.26297 204.6
[M]- 427.26407 204.6
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.