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 168.2
[M+Na]+ 313.12844 177.7
[M-H]- 289.13194 171.6
[M+NH4]+ 308.17304 184.3
[M+K]+ 329.10238 169.6
[M+H-H2O]+ 273.13648 165.6
[M+HCOO]- 335.13742 182.9
[M+CH3COO]- 349.15307 193.3
[M+Na-2H]- 311.11389 175.7
[M]+ 290.13867 170.9
[M]- 290.13977 170.9
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.