CID 117997

Acetanilide, 2-(p-butoxyphenoxy)-n-(2-(diethylamino)ethyl)-3',4'-dimethoxy-, hydrochloride

Structural Information

Molecular Formula
C26H38N2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C26H38N2O5/c1-6-9-18-32-22-11-13-23(14-12-22)33-20-26(29)28(17-16-27(7-2)8-3)21-10-15-24(30-4)25(19-21)31-5/h10-15,19H,6-9,16-18,20H2,1-5H3
InChIKey
MLSKTRRXQFCFGD-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.27808 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.28536 217.2
[M+Na]+ 481.26730 219.0
[M-H]- 457.27080 224.9
[M+NH4]+ 476.31190 226.0
[M+K]+ 497.24124 218.6
[M+H-H2O]+ 441.27534 205.8
[M+HCOO]- 503.27628 240.4
[M+CH3COO]- 517.29193 247.2
[M+Na-2H]- 479.25275 215.0
[M]+ 458.27753 228.2
[M]- 458.27863 228.2
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.