CID 204852

A 1317

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCCC2)C)OCCC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-17-14-20(26-13-10-19-8-4-3-5-9-19)15-18(2)22(17)23-21(25)16-24-11-6-7-12-24/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,23,25)
InChIKey
RJUPHOSGURUYLR-UHFFFAOYSA-N
Compound name
N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.6
[M+Na]+ 375.204318 191.5
[M-H]- 351.207824 195.2
[M+NH4]+ 370.248923 200.2
[M+K]+ 391.178258 186.6
[M+H-H2O]+ 335.212360 177.6
[M+HCOO]- 397.213301 207.8
[M+CH3COO]- 411.228951 216.7
[M+Na-2H]- 373.189766 186.3
[M]+ 352.21455142 187.1
[M]- 352.21564858 187.1
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.