CID 3046005

1-pyrrolidineacetamide, n-(2-methyl-4-phenoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC(=O)CN3CCCC3
InChI
InChI=1S/C19H22N2O2/c1-15-13-17(23-16-7-3-2-4-8-16)9-10-18(15)20-19(22)14-21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKey
NWAXIVXAYJWZOU-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 176.0
[M+Na]+ 333.15734 188.0
[M+NH4]+ 328.20194 183.7
[M+K]+ 349.13128 182.1
[M-H]- 309.16084 181.5
[M+Na-2H]- 331.14279 184.2
[M]+ 310.16757 179.1
[M]- 310.16867 179.1
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.