CID 420806

24108-92-7

Structural Information

Molecular Formula
C24H21NO6S
SMILES
CCCCS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C24H21NO6S/c1-2-3-12-32(29,30)15-10-8-14(9-11-15)31-19-13-18(26)20-21(22(19)25)24(28)17-7-5-4-6-16(17)23(20)27/h4-11,13,26H,2-3,12,25H2,1H3
InChIKey
GSLQYSYCMSQUAE-UHFFFAOYSA-N
Compound name
1-amino-2-(4-butylsulfonylphenoxy)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.10895 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.11623 204.6
[M+Na]+ 474.09817 212.8
[M-H]- 450.10167 211.1
[M+NH4]+ 469.14277 214.6
[M+K]+ 490.07211 207.2
[M+H-H2O]+ 434.10621 196.0
[M+HCOO]- 496.10715 217.1
[M+CH3COO]- 510.12280 233.0
[M+Na-2H]- 472.08362 207.4
[M]+ 451.10840 209.9
[M]- 451.10950 209.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.