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 177.1
[M+Na]+ 349.12892 184.0
[M-H]- 325.13242 182.2
[M+NH4]+ 344.17352 192.6
[M+K]+ 365.10286 179.8
[M+H-H2O]+ 309.13696 169.7
[M+HCOO]- 371.13790 193.6
[M+CH3COO]- 385.15355 210.0
[M+Na-2H]- 347.11437 175.6
[M]+ 326.13915 181.1
[M]- 326.14025 181.1
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.