CID 692748

N-(2-ethylphenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C18H21NO4
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H21NO4/c1-5-12-8-6-7-9-14(12)19-18(20)13-10-15(21-2)17(23-4)16(11-13)22-3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKey
YFRSQSLLRWONLJ-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

315.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 173.6
[M+Na]+ 338.136278 180.9
[M-H]- 314.139784 180.7
[M+NH4]+ 333.180883 188.1
[M+K]+ 354.110218 178.6
[M+H-H2O]+ 298.144320 165.1
[M+HCOO]- 360.145261 197.6
[M+CH3COO]- 374.160911 211.3
[M+Na-2H]- 336.121726 175.8
[M]+ 315.14651142 179.2
[M]- 315.14760858 179.2
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.