CID 117985

Acetamide, n-(m-anisyl)-2-(p-butoxyphenoxy)-n-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN2CCCC2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C25H34N2O4/c1-3-4-18-30-22-10-12-23(13-11-22)31-20-25(28)27(17-16-26-14-5-6-15-26)21-8-7-9-24(19-21)29-2/h7-13,19H,3-6,14-18,20H2,1-2H3
InChIKey
NSYYQYZLNVFDIU-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.25186 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 206.4
[M+Na]+ 449.24108 207.6
[M-H]- 425.24458 214.4
[M+NH4]+ 444.28568 216.0
[M+K]+ 465.21502 204.9
[M+H-H2O]+ 409.24912 195.0
[M+HCOO]- 471.25006 226.3
[M+CH3COO]- 485.26571 231.6
[M+Na-2H]- 447.22653 203.8
[M]+ 426.25131 210.4
[M]- 426.25241 210.4
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.