CID 21586648

Gravacridonetriol

Structural Information

Molecular Formula
C19H19NO6
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)O
InChI
InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3
InChIKey
GJDBWKOONRHBIM-UHFFFAOYSA-N
Compound name
5-hydroxy-11-methyl-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 181.2
[M+Na]+ 380.11047 193.9
[M+NH4]+ 375.15507 187.0
[M+K]+ 396.08441 191.5
[M-H]- 356.11397 182.1
[M+Na-2H]- 378.09592 182.1
[M]+ 357.12070 183.2
[M]- 357.12180 183.2
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

No patent data available for this compound.