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]+ 332.149246 176.5
[M+Na]+ 354.131188 182.6
[M-H]- 330.134694 183.2
[M+NH4]+ 349.175793 189.9
[M+K]+ 370.105128 181.0
[M+H-H2O]+ 314.139230 167.5
[M+HCOO]- 376.140171 200.7
[M+CH3COO]- 390.155821 212.2
[M+Na-2H]- 352.116636 179.6
[M]+ 331.14142142 183.1
[M]- 331.14251858 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.