CID 16205331

79641-29-5

Structural Information

Molecular Formula
C23H20N2O6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)CCO)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H20N2O6S/c1-31-19-9-6-13(32(29,30)11-10-26)12-18(19)25-17-8-7-16(24)20-21(17)23(28)15-5-3-2-4-14(15)22(20)27/h2-9,12,25-26H,10-11,24H2,1H3
InChIKey
CNCQCRCJZPZPKA-UHFFFAOYSA-N
Compound name
1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.10422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.111496 202.5
[M+Na]+ 475.093438 210.1
[M-H]- 451.096944 208.9
[M+NH4]+ 470.138043 211.9
[M+K]+ 491.067378 204.8
[M+H-H2O]+ 435.101480 193.7
[M+HCOO]- 497.102421 216.2
[M+CH3COO]- 511.118071 235.6
[M+Na-2H]- 473.078886 206.7
[M]+ 452.10367142 206.8
[M]- 452.10476858 206.8
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.