CID 58582

101651-31-4

Structural Information

Molecular Formula
C18H21NO4
SMILES
CCOC1=CC=C(C=C1)CC(=O)NCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C18H21NO4/c1-3-23-15-7-4-13(5-8-15)11-18(21)19-12-14-6-9-16(20)17(10-14)22-2/h4-10,20H,3,11-12H2,1-2H3,(H,19,21)
InChIKey
QLTJZJNIERDAMF-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 174.0
[M+Na]+ 338.136278 179.9
[M-H]- 314.139784 179.3
[M+NH4]+ 333.180883 187.5
[M+K]+ 354.110218 176.7
[M+H-H2O]+ 298.144320 165.6
[M+HCOO]- 360.145261 196.5
[M+CH3COO]- 374.160911 207.7
[M+Na-2H]- 336.121726 176.5
[M]+ 315.14651142 177.3
[M]- 315.14760858 177.3
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.