CID 216236

Ticalopride

Structural Information

Molecular Formula
C14H20ClN3O3
SMILES
CO[C@H]1CNCC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1
InChIKey
OMLDMGPCWMBPAN-YPMHNXCESA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxypiperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

1123
Patents

313.11932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12660 170.7
[M+Na]+ 336.10854 180.7
[M+NH4]+ 331.15314 176.8
[M+K]+ 352.08248 175.5
[M-H]- 312.11204 173.3
[M+Na-2H]- 334.09399 174.9
[M]+ 313.11877 172.7
[M]- 313.11987 172.7
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