CID 54944

2-((2,6-diethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC=C2OCC)OCC
InChI
InChI=1S/C18H28N2O3/c1-4-20-12-8-9-14(20)13-19-18(21)17-15(22-5-2)10-7-11-16(17)23-6-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3,(H,19,21)
InChIKey
VNUJTHGUDBHRKM-UHFFFAOYSA-N
Compound name
2,6-diethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.7
[M+Na]+ 343.19922 188.7
[M+NH4]+ 338.24382 185.7
[M+K]+ 359.17316 184.4
[M-H]- 319.20272 181.8
[M+Na-2H]- 341.18467 183.3
[M]+ 320.20945 181.2
[M]- 320.21055 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.