CID 4093677

N-(2-(4-benzyloxy-3-methoxy-phenyl)-ethyl)-2-(4-methoxy-phenyl)-acetamide

Structural Information

Molecular Formula
C25H27NO4
SMILES
COC1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C25H27NO4/c1-28-22-11-8-19(9-12-22)17-25(27)26-15-14-20-10-13-23(24(16-20)29-2)30-18-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,26,27)
InChIKey
NTRKASZCUAZVEE-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.201276 200.2
[M+Na]+ 428.183218 204.5
[M-H]- 404.186724 209.1
[M+NH4]+ 423.227823 209.9
[M+K]+ 444.157158 200.2
[M+H-H2O]+ 388.191260 189.1
[M+HCOO]- 450.192201 222.9
[M+CH3COO]- 464.207851 226.7
[M+Na-2H]- 426.168666 201.8
[M]+ 405.19345142 204.8
[M]- 405.19454858 204.8
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.