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]+ 325.191056 178.4
[M+Na]+ 347.172998 182.3
[M-H]- 323.176504 185.9
[M+NH4]+ 342.217603 191.9
[M+K]+ 363.146938 177.8
[M+H-H2O]+ 307.181040 168.5
[M+HCOO]- 369.181981 199.3
[M+CH3COO]- 383.197631 209.6
[M+Na-2H]- 345.158446 178.9
[M]+ 324.18323142 176.8
[M]- 324.18432858 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.