CID 3058593

Benzenepentanamide, 2,4-dimethoxy-beta-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C20H25NO4
SMILES
COC1=CC=C(C=C1)C(CCC2=C(C=C(C=C2)OC)OC)CC(=O)N
InChI
InChI=1S/C20H25NO4/c1-23-17-9-6-14(7-10-17)16(12-20(21)22)5-4-15-8-11-18(24-2)13-19(15)25-3/h6-11,13,16H,4-5,12H2,1-3H3,(H2,21,22)
InChIKey
FPBYPADEOTZTJZ-UHFFFAOYSA-N
Compound name
5-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 183.6
[M+Na]+ 366.167558 188.7
[M-H]- 342.171064 189.5
[M+NH4]+ 361.212163 196.2
[M+K]+ 382.141498 186.1
[M+H-H2O]+ 326.175600 174.7
[M+HCOO]- 388.176541 205.3
[M+CH3COO]- 402.192191 217.0
[M+Na-2H]- 364.153006 183.3
[M]+ 343.17779142 188.0
[M]- 343.17888858 188.0
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.