CID 3549763

3-(3,4-dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Structural Information

Molecular Formula
C21H27NO5
SMILES
COC1=C(C=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C21H27NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-6,8-9,13-14H,7,10-12H2,1-4H3,(H,22,23)
InChIKey
CVAPQIIHMCZOBK-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

373.18893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19621 190.9
[M+Na]+ 396.17815 202.9
[M+NH4]+ 391.22275 196.5
[M+K]+ 412.15209 196.0
[M-H]- 372.18165 194.2
[M+Na-2H]- 394.16360 196.8
[M]+ 373.18838 193.4
[M]- 373.18948 193.4
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