CID 33981

Acetanilide, 2-(p-butoxyphenoxy)-2',5'-diethoxy-n-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C28H40N2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN2CCCC2)C3=C(C=CC(=C3)OCC)OCC
InChI
InChI=1S/C28H40N2O5/c1-4-7-20-34-23-10-12-24(13-11-23)35-22-28(31)30(19-18-29-16-8-9-17-29)26-21-25(32-5-2)14-15-27(26)33-6-3/h10-15,21H,4-9,16-20,22H2,1-3H3
InChIKey
QCRMUKKFVAOTOM-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.29373 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.30101 222.0
[M+Na]+ 507.28295 222.5
[M-H]- 483.28645 229.7
[M+NH4]+ 502.32755 229.3
[M+K]+ 523.25689 220.0
[M+H-H2O]+ 467.29099 210.2
[M+HCOO]- 529.29193 241.0
[M+CH3COO]- 543.30758 243.5
[M+Na-2H]- 505.26840 217.4
[M]+ 484.29318 228.8
[M]- 484.29428 228.8
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.