CID 6433122

Pruvanserin

Structural Information

Molecular Formula
C22H21FN4O
SMILES
C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N
InChI
InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2
InChIKey
AQRLDDAFYYAIJP-UHFFFAOYSA-N
Compound name
7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

919
Patents

376.16995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17723 190.2
[M+Na]+ 399.15917 199.0
[M-H]- 375.16267 191.0
[M+NH4]+ 394.20377 197.9
[M+K]+ 415.13311 188.1
[M+H-H2O]+ 359.16721 171.5
[M+HCOO]- 421.16815 200.1
[M+CH3COO]- 435.18380 196.1
[M+Na-2H]- 397.14462 188.7
[M]+ 376.16940 180.7
[M]- 376.17050 180.7
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