CID 398789

Evodine

Structural Information

Molecular Formula
C18H19NO5
SMILES
CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
InChI
InChI=1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
InChIKey
LNJTUUHDKCPQAA-UHFFFAOYSA-N
Compound name
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

108
Patents

329.1263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13358 175.7
[M+Na]+ 352.11552 185.1
[M-H]- 328.11902 180.0
[M+NH4]+ 347.16012 190.5
[M+K]+ 368.08946 183.2
[M+H-H2O]+ 312.12356 168.7
[M+HCOO]- 374.12450 194.3
[M+CH3COO]- 388.14015 209.5
[M+Na-2H]- 350.10097 178.9
[M]+ 329.12575 184.5
[M]- 329.12685 184.5
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