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
4
Annotation Hits

8
References

1163
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 171.8
[M+Na]+ 336.10854 177.4
[M-H]- 312.11204 174.9
[M+NH4]+ 331.15314 184.5
[M+K]+ 352.08248 172.9
[M+H-H2O]+ 296.11658 164.4
[M+HCOO]- 358.11752 185.7
[M+CH3COO]- 372.13317 207.1
[M+Na-2H]- 334.09399 171.8
[M]+ 313.11877 169.6
[M]- 313.11987 169.6
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