CID 18159637

Rubescenamin

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CC3=C(C=C2)OCO3)OC
InChI
InChI=1S/C20H21NO5/c1-23-16-6-3-14(11-18(16)24-2)5-8-20(22)21-10-9-15-4-7-17-19(12-15)26-13-25-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,22)/b8-5+
InChIKey
RLWJIETUBNSFMD-VMPITWQZSA-N
Compound name
(E)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

355.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 184.8
[M+Na]+ 378.13119 191.0
[M-H]- 354.13469 193.4
[M+NH4]+ 373.17579 197.3
[M+K]+ 394.10513 189.6
[M+H-H2O]+ 338.13923 176.9
[M+HCOO]- 400.14017 205.7
[M+CH3COO]- 414.15582 215.2
[M+Na-2H]- 376.11664 187.9
[M]+ 355.14142 190.7
[M]- 355.14252 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe