CID 54948

2,6-diisopropoxy-n-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC=C2OC(C)C)OC(C)C
InChI
InChI=1S/C20H32N2O3/c1-6-22-12-8-9-16(22)13-21-20(23)19-17(24-14(2)3)10-7-11-18(19)25-15(4)5/h7,10-11,14-16H,6,8-9,12-13H2,1-5H3,(H,21,23)
InChIKey
PNYHUCVZDPPOTQ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-di(propan-2-yloxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 188.4
[M+Na]+ 371.230518 191.2
[M-H]- 347.234024 192.8
[M+NH4]+ 366.275123 201.6
[M+K]+ 387.204458 189.2
[M+H-H2O]+ 331.238560 179.8
[M+HCOO]- 393.239501 206.1
[M+CH3COO]- 407.255151 218.8
[M+Na-2H]- 369.215966 183.8
[M]+ 348.24075142 190.1
[M]- 348.24184858 190.1
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.