CID 3333138

N-(3,4-dimethoxy-benzyl)-3-(3,4-dimethoxy-phenyl)-propionamide

Structural Information

Molecular Formula
C20H25NO5
SMILES
COC1=C(C=C(C=C1)CCC(=O)NCC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H25NO5/c1-23-16-8-5-14(11-18(16)25-3)7-10-20(22)21-13-15-6-9-17(24-2)19(12-15)26-4/h5-6,8-9,11-12H,7,10,13H2,1-4H3,(H,21,22)
InChIKey
OJRUNBIJUZETOZ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

359.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18056 185.5
[M+Na]+ 382.16250 191.7
[M-H]- 358.16600 192.2
[M+NH4]+ 377.20710 198.1
[M+K]+ 398.13644 189.7
[M+H-H2O]+ 342.17054 176.3
[M+HCOO]- 404.17148 209.0
[M+CH3COO]- 418.18713 219.4
[M+Na-2H]- 380.14795 186.8
[M]+ 359.17273 193.2
[M]- 359.17383 193.2
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

patents stripe