CID 362910

Nsc627385

Structural Information

Molecular Formula
C28H36O10
SMILES
COCCOCCOCCOC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOC
InChI
InChI=1S/C28H36O10/c1-31-9-11-33-13-15-35-17-19-37-23-7-3-5-21-25(23)27(29)22-6-4-8-24(26(22)28(21)30)38-20-18-36-16-14-34-12-10-32-2/h3-8H,9-20H2,1-2H3
InChIKey
XSSSVSGXGLTANV-UHFFFAOYSA-N
Compound name
1,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

532.23083 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.23811 223.8
[M+Na]+ 555.22005 226.9
[M-H]- 531.22355 226.9
[M+NH4]+ 550.26465 230.5
[M+K]+ 571.19399 226.0
[M+H-H2O]+ 515.22809 212.5
[M+HCOO]- 577.22903 241.3
[M+CH3COO]- 591.24468 248.2
[M+Na-2H]- 553.20550 225.2
[M]+ 532.23028 240.5
[M]- 532.23138 240.5
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

patents stripe