CID 119664

Acetamide, n-(o-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=C3OC
InChI
InChI=1S/C25H34N2O4/c1-3-4-19-30-21-11-13-22(14-12-21)31-20-25(28)27(18-17-26-15-7-8-16-26)23-9-5-6-10-24(23)29-2/h5-6,9-14H,3-4,7-8,15-20H2,1-2H3
InChIKey
LHQKYSCQIUUKDH-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

literature stripe

Patent stripe

patents stripe