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]+ 316.15434 173.6
[M+Na]+ 338.13628 180.9
[M-H]- 314.13978 180.7
[M+NH4]+ 333.18088 188.1
[M+K]+ 354.11022 178.6
[M+H-H2O]+ 298.14432 165.1
[M+HCOO]- 360.14526 197.6
[M+CH3COO]- 374.16091 211.3
[M+Na-2H]- 336.12173 175.8
[M]+ 315.14651 179.2
[M]- 315.14761 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.