CID 54956

(s)-(-)-2-((3-chloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C16H23ClN2O3
SMILES
CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Cl)OC
InChI
InChI=1S/C16H23ClN2O3/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
CQFIGXQADSIOPJ-NSHDSACASA-N
Compound name
3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1397 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14698 175.8
[M+Na]+ 349.12892 186.5
[M+NH4]+ 344.17352 182.4
[M+K]+ 365.10286 181.9
[M-H]- 325.13242 178.1
[M+Na-2H]- 347.11437 179.9
[M]+ 326.13915 178.0
[M]- 326.14025 178.0
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

No patent data available for this compound.