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 178.8
[M+Na]+ 364.11552 189.7
[M-H]- 340.11902 182.1
[M+NH4]+ 359.16012 193.3
[M+K]+ 380.08946 185.5
[M+H-H2O]+ 324.12356 172.9
[M+HCOO]- 386.12450 192.4
[M+CH3COO]- 400.14015 189.6
[M+Na-2H]- 362.10097 184.5
[M]+ 341.12575 183.4
[M]- 341.12685 183.4
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.