CID 73416

Evoxine

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O
InChI
InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3
InChIKey
FGANMDNHTVJAHL-UHFFFAOYSA-N
Compound name
1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

40
Patents

347.1369 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14418 180.1
[M+Na]+ 370.12612 189.1
[M-H]- 346.12962 183.2
[M+NH4]+ 365.17072 193.6
[M+K]+ 386.10006 187.9
[M+H-H2O]+ 330.13416 173.7
[M+HCOO]- 392.13510 196.5
[M+CH3COO]- 406.15075 209.7
[M+Na-2H]- 368.11157 185.4
[M]+ 347.13635 189.4
[M]- 347.13745 189.4
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