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]+ 280.154336 163.8
[M+Na]+ 302.136278 169.4
[M-H]- 278.139784 170.4
[M+NH4]+ 297.180883 181.3
[M+K]+ 318.110218 168.0
[M+H-H2O]+ 262.144320 156.7
[M+HCOO]- 324.145261 186.8
[M+CH3COO]- 338.160911 201.6
[M+Na-2H]- 300.121726 164.3
[M]+ 279.14651142 166.0
[M]- 279.14760858 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.