CID 3058601

75436-94-1

Structural Information

Molecular Formula
C21H27NO4
SMILES
CC1=CC(=C(C(=C1)OC)CCC(CC(=O)N)C2=CC=C(C=C2)OC)OC
InChI
InChI=1S/C21H27NO4/c1-14-11-19(25-3)18(20(12-14)26-4)10-7-16(13-21(22)23)15-5-8-17(24-2)9-6-15/h5-6,8-9,11-12,16H,7,10,13H2,1-4H3,(H2,22,23)
InChIKey
VKLBAKVYGKECDW-UHFFFAOYSA-N
Compound name
5-(2,6-dimethoxy-4-methylphenyl)-3-(4-methoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.8
[M+Na]+ 380.18322 199.6
[M+NH4]+ 375.22782 193.7
[M+K]+ 396.15716 193.3
[M-H]- 356.18672 191.3
[M+Na-2H]- 378.16867 193.3
[M]+ 357.19345 190.3
[M]- 357.19455 190.3
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.