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 187.9
[M+Na]+ 380.18322 193.5
[M-H]- 356.18672 194.0
[M+NH4]+ 375.22782 200.3
[M+K]+ 396.15716 190.8
[M+H-H2O]+ 340.19126 179.0
[M+HCOO]- 402.19220 209.2
[M+CH3COO]- 416.20785 221.2
[M+Na-2H]- 378.16867 186.3
[M]+ 357.19345 193.1
[M]- 357.19455 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.