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 178.9
[M+Na]+ 343.19922 183.2
[M-H]- 319.20272 183.5
[M+NH4]+ 338.24382 193.5
[M+K]+ 359.17316 180.5
[M+H-H2O]+ 303.20726 170.3
[M+HCOO]- 365.20820 199.4
[M+CH3COO]- 379.22385 211.1
[M+Na-2H]- 341.18467 177.7
[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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.