CID 81849

7376-52-5

Structural Information

Molecular Formula
C38H42N2O12
SMILES
C1=CC(=CC=C1NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=CC=C(C=C5)OCCOCCOCCO)OCCOCCOCCO
InChI
InChI=1S/C38H42N2O12/c41-13-15-47-17-19-49-21-23-51-27-5-1-25(2-6-27)39-29-9-11-31(43)35-33(29)37(45)36-32(44)12-10-30(34(36)38(35)46)40-26-3-7-28(8-4-26)52-24-22-50-20-18-48-16-14-42/h1-12,39-44H,13-24H2
InChIKey
CSTONOUGGVBVQC-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-4,8-bis[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.2738 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.28108 274.6
[M+Na]+ 741.26302 283.5
[M+NH4]+ 736.30762 274.6
[M+K]+ 757.23696 277.1
[M-H]- 717.26652 277.8
[M+Na-2H]- 739.24847 275.5
[M]+ 718.27325 276.2
[M]- 718.27435 276.2
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.