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

2183
References

3906
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.