CID 3057645

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

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)N
InChI
InChI=1S/C20H26N2O3/c1-14-5-6-17(11-18(14)21)13-22(15(2)23)10-9-16-7-8-19(24-3)20(12-16)25-4/h5-8,11-12H,9-10,13,21H2,1-4H3
InChIKey
DXIXAIZLNMWJST-UHFFFAOYSA-N
Compound name
N-[(3-amino-4-methylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.8
[M+Na]+ 365.18356 190.6
[M-H]- 341.18706 192.4
[M+NH4]+ 360.22816 198.3
[M+K]+ 381.15750 188.3
[M+H-H2O]+ 325.19160 175.6
[M+HCOO]- 387.19254 208.7
[M+CH3COO]- 401.20819 223.1
[M+Na-2H]- 363.16901 184.4
[M]+ 342.19379 189.2
[M]- 342.19489 189.2
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.