CID 117985

27468-55-9

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]+ 427.259136 206.4
[M+Na]+ 449.241078 207.6
[M-H]- 425.244584 214.4
[M+NH4]+ 444.285683 216.0
[M+K]+ 465.215018 204.9
[M+H-H2O]+ 409.249120 195.0
[M+HCOO]- 471.250061 226.3
[M+CH3COO]- 485.265711 231.6
[M+Na-2H]- 447.226526 203.8
[M]+ 426.25131142 210.4
[M]- 426.25240858 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.