CID 3549763

20944-13-2

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

12
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 190.1
[M+Na]+ 396.17815 195.8
[M-H]- 372.18165 196.6
[M+NH4]+ 391.22275 202.1
[M+K]+ 412.15209 193.6
[M+H-H2O]+ 356.18619 180.7
[M+HCOO]- 418.18713 213.2
[M+CH3COO]- 432.20278 222.3
[M+Na-2H]- 394.16360 190.9
[M]+ 373.18838 198.1
[M]- 373.18948 198.1
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

patents stripe