CID 1185801

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide

Structural Information

Molecular Formula
C18H20N2O6
SMILES
COC1=C(C=C(C=C1)CCNC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC
InChI
InChI=1S/C18H20N2O6/c1-24-16-8-7-13(11-17(16)25-2)9-10-19-18(21)12-26-15-6-4-3-5-14(15)20(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKey
WSYGWGVDWHZQPW-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

360.13214 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.139416 182.9
[M+Na]+ 383.121358 187.1
[M-H]- 359.124864 189.3
[M+NH4]+ 378.165963 193.9
[M+K]+ 399.095298 181.2
[M+H-H2O]+ 343.129400 178.0
[M+HCOO]- 405.130341 207.7
[M+CH3COO]- 419.145991 211.3
[M+Na-2H]- 381.106806 187.5
[M]+ 360.13159142 186.5
[M]- 360.13268858 186.5
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

No patent data available for this compound.