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 181.3
[M+Na]+ 380.11047 191.3
[M-H]- 356.11397 183.1
[M+NH4]+ 375.15507 194.2
[M+K]+ 396.08441 187.3
[M+H-H2O]+ 340.11851 175.5
[M+HCOO]- 402.11945 193.4
[M+CH3COO]- 416.13510 208.4
[M+Na-2H]- 378.09592 186.9
[M]+ 357.12070 185.6
[M]- 357.12180 185.6
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.