CID 211927

23771-18-8

Structural Information

Molecular Formula
C18H25NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)NC2CCCCC2
InChI
InChI=1S/C18H25NO5/c1-22-15-9-12(10-16(23-2)18(15)24-3)14(20)11-17(21)19-13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H,19,21)
InChIKey
DHOWHOSWMZQMPZ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.180556 178.3
[M+Na]+ 358.162498 181.5
[M-H]- 334.166004 183.9
[M+NH4]+ 353.207103 191.2
[M+K]+ 374.136438 180.3
[M+H-H2O]+ 318.170540 169.9
[M+HCOO]- 380.171481 197.4
[M+CH3COO]- 394.187131 213.5
[M+Na-2H]- 356.147946 177.5
[M]+ 335.17273142 179.5
[M]- 335.17382858 179.5
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.