CID 60664

N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenoxy)acetamide

Structural Information

Molecular Formula
C19H23NO5
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO5/c1-22-16-11-15(12-17(23-2)19(16)24-3)25-13-18(21)20-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKey
HJMHFWWJFHHQHX-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16490 181.1
[M+Na]+ 368.14684 186.8
[M-H]- 344.15034 187.5
[M+NH4]+ 363.19144 193.9
[M+K]+ 384.12078 184.9
[M+H-H2O]+ 328.15488 171.8
[M+HCOO]- 390.15582 204.9
[M+CH3COO]- 404.17147 215.2
[M+Na-2H]- 366.13229 183.6
[M]+ 345.15707 188.0
[M]- 345.15817 188.0
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

patents stripe