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 173.9
[M+Na]+ 333.15734 178.2
[M-H]- 309.16084 181.7
[M+NH4]+ 328.20194 188.0
[M+K]+ 349.13128 174.0
[M+H-H2O]+ 293.16538 164.3
[M+HCOO]- 355.16632 195.2
[M+CH3COO]- 369.18197 206.7
[M+Na-2H]- 331.14279 175.0
[M]+ 310.16757 172.0
[M]- 310.16867 172.0
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.