CID 3058600

4-ethoxy-beta-(4-methoxyphenyl)-2-methyl-5-(1-methylethyl)benzenepentanamide

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCOC1=C(C=C(C(=C1)C)CCC(CC(=O)N)C2=CC=C(C=C2)OC)C(C)C
InChI
InChI=1S/C24H33NO3/c1-6-28-23-13-17(4)19(14-22(23)16(2)3)7-8-20(15-24(25)26)18-9-11-21(27-5)12-10-18/h9-14,16,20H,6-8,15H2,1-5H3,(H2,25,26)
InChIKey
XGQNCDCVPYXCAL-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 198.5
[M+Na]+ 406.235248 202.7
[M-H]- 382.238754 204.0
[M+NH4]+ 401.279853 209.8
[M+K]+ 422.209188 199.2
[M+H-H2O]+ 366.243290 189.5
[M+HCOO]- 428.244231 217.6
[M+CH3COO]- 442.259881 228.9
[M+Na-2H]- 404.220696 194.1
[M]+ 383.24548142 202.7
[M]- 383.24657858 202.7
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.