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]+ 316.15434 174.0
[M+Na]+ 338.13628 179.9
[M-H]- 314.13978 179.3
[M+NH4]+ 333.18088 187.5
[M+K]+ 354.11022 176.7
[M+H-H2O]+ 298.14432 165.6
[M+HCOO]- 360.14526 196.5
[M+CH3COO]- 374.16091 207.7
[M+Na-2H]- 336.12173 176.5
[M]+ 315.14651 177.3
[M]- 315.14761 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.