CID 5969616

Moschamine

Structural Information

Molecular Formula
C20H20N2O4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
InChI
InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
InChIKey
WGHKJYWENWLOMY-XVNBXDOJSA-N
Compound name
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

170
Patents

352.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 184.8
[M+Na]+ 375.13152 196.4
[M+NH4]+ 370.17612 190.0
[M+K]+ 391.10546 192.0
[M-H]- 351.13502 186.6
[M+Na-2H]- 373.11697 189.3
[M]+ 352.14175 186.6
[M]- 352.14285 186.6
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