CID 342870

Nsc380765

Structural Information

Molecular Formula
C26H24O10
SMILES
CCOC(=O)CCC(=O)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)CCC(=O)OCC
InChI
InChI=1S/C26H24O10/c1-3-33-19(27)11-13-21(29)35-18-10-9-17-23(25(32)16-8-6-5-7-15(16)24(17)31)26(18)36-22(30)14-12-20(28)34-4-2/h5-10H,3-4,11-14H2,1-2H3
InChIKey
POJYBMFIKSJVSK-UHFFFAOYSA-N
Compound name
4-O-[1-(4-ethoxy-4-oxobutanoyl)oxy-9,10-dioxoanthracen-2-yl] 1-O-ethyl butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.13693 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.14421 209.2
[M+Na]+ 519.12615 213.7
[M-H]- 495.12965 213.3
[M+NH4]+ 514.17075 217.3
[M+K]+ 535.10009 213.4
[M+H-H2O]+ 479.13419 200.2
[M+HCOO]- 541.13513 224.5
[M+CH3COO]- 555.15078 241.6
[M+Na-2H]- 517.11160 207.7
[M]+ 496.13638 220.2
[M]- 496.13748 220.2
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.