CID 3052762

Prucalopride

Structural Information

Molecular Formula
C18H26ClN3O3
SMILES
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl
InChI
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
InChIKey
ZPMNHBXQOOVQJL-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

331
References

3558
Patents

367.16626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17354 189.3
[M+Na]+ 390.15548 193.8
[M-H]- 366.15898 194.5
[M+NH4]+ 385.20008 201.8
[M+K]+ 406.12942 189.7
[M+H-H2O]+ 350.16352 181.4
[M+HCOO]- 412.16446 201.3
[M+CH3COO]- 426.18011 219.3
[M+Na-2H]- 388.14093 188.0
[M]+ 367.16571 189.0
[M]- 367.16681 189.0
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