CID 54477

Remoxipride

Structural Information

Molecular Formula
C16H23BrN2O3
SMILES
CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC
InChI
InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKey
GUJRSXAPGDDABA-NSHDSACASA-N
Compound name
3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

323
References

3815
Patents

370.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09648 184.0
[M+Na]+ 393.07842 184.4
[M+NH4]+ 388.12302 186.6
[M+K]+ 409.05236 186.0
[M-H]- 369.08192 184.5
[M+Na-2H]- 391.06387 184.2
[M]+ 370.08865 182.7
[M]- 370.08975 182.7
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

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