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]+ 358.201276 187.9
[M+Na]+ 380.183218 193.5
[M-H]- 356.186724 194.0
[M+NH4]+ 375.227823 200.3
[M+K]+ 396.157158 190.8
[M+H-H2O]+ 340.191260 179.0
[M+HCOO]- 402.192201 209.2
[M+CH3COO]- 416.207851 221.2
[M+Na-2H]- 378.168666 186.3
[M]+ 357.19345142 193.1
[M]- 357.19454858 193.1
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.