CID 3057643

Acetamide, n-(2-(3,4-dimethoxyphenyl)ethyl)-n-((4-methyl-3-nitrophenyl)methyl)-, hydrate

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C20H24N2O5/c1-14-5-6-17(11-18(14)22(24)25)13-21(15(2)23)10-9-16-7-8-19(26-3)20(12-16)27-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey
CMGMTHOFPGSSHX-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitrophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 189.6
[M+Na]+ 395.15774 194.2
[M-H]- 371.16124 197.4
[M+NH4]+ 390.20234 201.1
[M+K]+ 411.13168 188.7
[M+H-H2O]+ 355.16578 184.7
[M+HCOO]- 417.16672 213.9
[M+CH3COO]- 431.18237 219.6
[M+Na-2H]- 393.14319 191.4
[M]+ 372.16797 194.1
[M]- 372.16907 194.1
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.