CID 11973708

S-(-)-eticlopride hydrochloride

Structural Information

Molecular Formula
C17H25ClN2O3
SMILES
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCN(C2)CC)OC)Cl
InChI
InChI=1S/C17H25ClN2O3/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKey
RKXSQHTWNMDLJM-NSHDSACASA-N
Compound name
5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

2
Patents

340.15536 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16264 180.7
[M+Na]+ 363.14458 190.9
[M+NH4]+ 358.18918 186.8
[M+K]+ 379.11852 186.6
[M-H]- 339.14808 182.5
[M+Na-2H]- 361.13003 183.6
[M]+ 340.15481 182.6
[M]- 340.15591 182.6
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

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