CID 24845399

Brn 5995343

Structural Information

Molecular Formula
C20H31N2O3
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C2CC(N(C2(C)C)[O-])(C)C
InChI
InChI=1S/C20H31N2O3/c1-13-9-8-10-14(2)17(13)25-12-15(3)21-18(23)16-11-19(4,5)22(24)20(16,6)7/h8-10,15-16H,11-12H2,1-7H3,(H,21,23)/q-1
InChIKey
JFXCXWLEIOKSLB-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.23346 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24074 180.1
[M+Na]+ 370.22268 186.5
[M-H]- 346.22618 184.2
[M+NH4]+ 365.26728 197.5
[M+K]+ 386.19662 184.6
[M+H-H2O]+ 330.23072 176.7
[M+HCOO]- 392.23166 198.4
[M+CH3COO]- 406.24731 216.3
[M+Na-2H]- 368.20813 178.2
[M]+ 347.23291 181.7
[M]- 347.23401 181.7
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.