CID 732188

N-cyclopentyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C15H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCC2
InChI
InChI=1S/C15H21NO4/c1-18-12-8-10(9-13(19-2)14(12)20-3)15(17)16-11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKey
PCZKNUOZWYDPLO-UHFFFAOYSA-N
Compound name
N-cyclopentyl-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 163.8
[M+Na]+ 302.13628 169.4
[M-H]- 278.13978 170.4
[M+NH4]+ 297.18088 181.3
[M+K]+ 318.11022 168.0
[M+H-H2O]+ 262.14432 156.7
[M+HCOO]- 324.14526 186.8
[M+CH3COO]- 338.16091 201.6
[M+Na-2H]- 300.12173 164.3
[M]+ 279.14651 166.0
[M]- 279.14761 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.