CID 377289

Nsc658577

Structural Information

Molecular Formula
C23H20O8
SMILES
CC(=O)OCC1=CC2=C(C=C3C(=C2OC(=O)C)C=CC=C3OC(=O)C)C(=C1)OC(=O)C
InChI
InChI=1S/C23H20O8/c1-12(24)28-11-16-8-20-19(22(9-16)30-14(3)26)10-18-17(23(20)31-15(4)27)6-5-7-21(18)29-13(2)25/h5-10H,11H2,1-4H3
InChIKey
LPFAXMMDGZKAHD-UHFFFAOYSA-N
Compound name
(4,5,9-triacetyloxyanthracen-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12308 194.3
[M+Na]+ 447.10502 202.2
[M-H]- 423.10852 200.1
[M+NH4]+ 442.14962 206.2
[M+K]+ 463.07896 201.7
[M+H-H2O]+ 407.11306 185.9
[M+HCOO]- 469.11400 212.9
[M+CH3COO]- 483.12965 229.1
[M+Na-2H]- 445.09047 195.2
[M]+ 424.11525 205.6
[M]- 424.11635 205.6
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.