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 189.4
[M+Na]+ 406.12612 199.3
[M-H]- 382.12962 193.6
[M+NH4]+ 401.17072 202.4
[M+K]+ 422.10006 196.4
[M+H-H2O]+ 366.13416 182.9
[M+HCOO]- 428.13510 203.0
[M+CH3COO]- 442.15075 218.0
[M+Na-2H]- 404.11157 193.6
[M]+ 383.13635 196.3
[M]- 383.13745 196.3
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.