CID 212723

Brn 2305169

Structural Information

Molecular Formula
C18H21NO5
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H21NO5/c1-21-15-9-14(10-16(22-2)18(15)23-3)24-12-17(20)19-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKey
GKRGVOGWPNHCLX-UHFFFAOYSA-N
Compound name
N-benzyl-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 176.5
[M+Na]+ 354.13119 182.6
[M-H]- 330.13469 183.2
[M+NH4]+ 349.17579 189.9
[M+K]+ 370.10513 181.0
[M+H-H2O]+ 314.13923 167.5
[M+HCOO]- 376.14017 200.7
[M+CH3COO]- 390.15582 212.2
[M+Na-2H]- 352.11664 179.6
[M]+ 331.14142 183.1
[M]- 331.14252 183.1
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.