CID 3528657

477320-14-2

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H21NO4/c1-21-15-7-5-14(6-8-15)19-11-10-16(20)13-4-9-17(22-2)18(12-13)23-3/h4-9,12,19H,10-11H2,1-3H3
InChIKey
KSKZJQCKGJQKPF-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-(4-methoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 173.5
[M+Na]+ 338.136278 179.8
[M-H]- 314.139784 180.2
[M+NH4]+ 333.180883 187.7
[M+K]+ 354.110218 177.4
[M+H-H2O]+ 298.144320 164.8
[M+HCOO]- 360.145261 197.5
[M+CH3COO]- 374.160911 210.7
[M+Na-2H]- 336.121726 176.5
[M]+ 315.14651142 178.8
[M]- 315.14760858 178.8
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.