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]+ 349.24858 188.4
[M+Na]+ 371.23052 191.2
[M-H]- 347.23402 192.8
[M+NH4]+ 366.27512 201.6
[M+K]+ 387.20446 189.2
[M+H-H2O]+ 331.23856 179.8
[M+HCOO]- 393.23950 206.1
[M+CH3COO]- 407.25515 218.8
[M+Na-2H]- 369.21597 183.8
[M]+ 348.24075 190.1
[M]- 348.24185 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.