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]+ 336.18056 178.3
[M+Na]+ 358.16250 181.5
[M-H]- 334.16600 183.9
[M+NH4]+ 353.20710 191.2
[M+K]+ 374.13644 180.3
[M+H-H2O]+ 318.17054 169.9
[M+HCOO]- 380.17148 197.4
[M+CH3COO]- 394.18713 213.5
[M+Na-2H]- 356.14795 177.5
[M]+ 335.17273 179.5
[M]- 335.17383 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.