CID 5317837

Gravacridonediol methyl ether

Structural Information

Molecular Formula
C20H21NO5
SMILES
CC(COC)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O
InChI
InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3
InChIKey
YYTVGIBSAJVHGD-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-hydroxy-1-methoxypropan-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.14197 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 183.5
[M+Na]+ 378.13119 194.3
[M-H]- 354.13469 187.8
[M+NH4]+ 373.17579 198.0
[M+K]+ 394.10513 190.6
[M+H-H2O]+ 338.13923 177.0
[M+HCOO]- 400.14017 198.2
[M+CH3COO]- 414.15582 213.1
[M+Na-2H]- 376.11664 189.0
[M]+ 355.14142 190.0
[M]- 355.14252 190.0
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.