CID 131752400

136591-55-4

Structural Information

Molecular Formula
C21H21NO6
SMILES
CC(=O)OCC(C)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O
InChI
InChI=1S/C21H21NO6/c1-11(23)27-10-21(2,26)17-8-13-16(28-17)9-15(24)18-19(13)22(3)14-7-5-4-6-12(14)20(18)25/h4-7,9,17,24,26H,8,10H2,1-3H3
InChIKey
HPCOINMYMUXGLS-UHFFFAOYSA-N
Compound name
[2-hydroxy-2-(5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 188.0
[M+Na]+ 406.12612 201.0
[M+NH4]+ 401.17072 193.8
[M+K]+ 422.10006 198.3
[M-H]- 382.12962 189.3
[M+Na-2H]- 404.11157 189.3
[M]+ 383.13635 190.2
[M]- 383.13745 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.