CID 3046011

1-pyrrolidineacetamide, n-(2-methyl-4-(phenylmethoxy)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)NC(=O)CN3CCCC3
InChI
InChI=1S/C20H24N2O2/c1-16-13-18(24-15-17-7-3-2-4-8-17)9-10-19(16)21-20(23)14-22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,21,23)
InChIKey
HXGQGKUGZZDTOU-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.4
[M+Na]+ 347.17300 182.3
[M-H]- 323.17650 185.9
[M+NH4]+ 342.21760 191.9
[M+K]+ 363.14694 177.8
[M+H-H2O]+ 307.18104 168.5
[M+HCOO]- 369.18198 199.3
[M+CH3COO]- 383.19763 209.6
[M+Na-2H]- 345.15845 178.9
[M]+ 324.18323 176.8
[M]- 324.18433 176.8
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.