CID 204844

A 1117

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCCC2)C)OC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O2/c1-15-12-18(24-17-8-4-3-5-9-17)13-16(2)20(15)21-19(23)14-22-10-6-7-11-22/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,21,23)
InChIKey
HPHGXJJNZJYZTG-UHFFFAOYSA-N
Compound name
N-(2,6-dimethyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.6
[M+Na]+ 347.17300 183.5
[M-H]- 323.17650 186.6
[M+NH4]+ 342.21760 192.5
[M+K]+ 363.14694 179.0
[M+H-H2O]+ 307.18104 169.1
[M+HCOO]- 369.18198 199.6
[M+CH3COO]- 383.19763 210.8
[M+Na-2H]- 345.15845 178.5
[M]+ 324.18323 177.5
[M]- 324.18433 177.5
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.