CID 5317836

Gravacridonediol

Structural Information

Molecular Formula
C19H19NO5
SMILES
CC(CO)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O
InChI
InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
InChIKey
RQAGSTDFTGSIGB-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 177.9
[M+Na]+ 364.11552 191.7
[M+NH4]+ 359.16012 184.7
[M+K]+ 380.08946 188.4
[M-H]- 340.11902 179.8
[M+Na-2H]- 362.10097 179.9
[M]+ 341.12575 180.5
[M]- 341.12685 180.5
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.