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]+ 373.175796 189.6
[M+Na]+ 395.157738 194.2
[M-H]- 371.161244 197.4
[M+NH4]+ 390.202343 201.1
[M+K]+ 411.131678 188.7
[M+H-H2O]+ 355.165780 184.7
[M+HCOO]- 417.166721 213.9
[M+CH3COO]- 431.182371 219.6
[M+Na-2H]- 393.143186 191.4
[M]+ 372.16797142 194.1
[M]- 372.16906858 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.