CID 3083987

Ribalinium

Structural Information

Molecular Formula
C16H20NO4
SMILES
CC(C)(C1CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O
InChI
InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1
InChIKey
RUZDYQSFFIVRRP-UHFFFAOYSA-O
Compound name
2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13922 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14650 163.2
[M+Na]+ 313.12844 177.5
[M+NH4]+ 308.17304 171.6
[M+K]+ 329.10238 175.5
[M-H]- 289.13194 166.6
[M+Na-2H]- 311.11389 166.4
[M]+ 290.13867 166.6
[M]- 290.13977 166.6
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

No patent data available for this compound.