CID 65435

Pelanserin hydrochloride

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4O2/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,27)
InChIKey
WPKPLSFHHBBLRY-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1015
Patents

364.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 191.0
[M+Na]+ 387.17912 197.4
[M-H]- 363.18262 193.7
[M+NH4]+ 382.22372 197.3
[M+K]+ 403.15306 189.0
[M+H-H2O]+ 347.18716 177.8
[M+HCOO]- 409.18810 202.9
[M+CH3COO]- 423.20375 197.9
[M+Na-2H]- 385.16457 194.1
[M]+ 364.18935 186.9
[M]- 364.19045 186.9
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