CID 3033769

Raclopride

Structural Information

Molecular Formula
C15H20Cl2N2O3
SMILES
CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O
InChI
InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
InChIKey
WAOQONBSWFLFPE-VIFPVBQESA-N
Compound name
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2181
References

3998
Patents

346.08508 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09236 178.9
[M+Na]+ 369.07430 187.0
[M-H]- 345.07780 182.5
[M+NH4]+ 364.11890 193.6
[M+K]+ 385.04824 181.0
[M+H-H2O]+ 329.08234 172.9
[M+HCOO]- 391.08328 189.1
[M+CH3COO]- 405.09893 210.1
[M+Na-2H]- 367.05975 176.1
[M]+ 346.08453 182.2
[M]- 346.08563 182.2
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