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

13
Patents

373.18893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.196206 190.1
[M+Na]+ 396.178148 195.8
[M-H]- 372.181654 196.6
[M+NH4]+ 391.222753 202.1
[M+K]+ 412.152088 193.6
[M+H-H2O]+ 356.186190 180.7
[M+HCOO]- 418.187131 213.2
[M+CH3COO]- 432.202781 222.3
[M+Na-2H]- 394.163596 190.9
[M]+ 373.18838142 198.1
[M]- 373.18947858 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