CID 112289

69563-51-5

Structural Information

Molecular Formula
C21H16N2O5S
SMILES
COC1=C(C2=C(C(=C1)NS(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N
InChI
InChI=1S/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3
InChIKey
ZUWHJJGOYZUNDW-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

408.078 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08528 191.3
[M+Na]+ 431.06722 200.1
[M-H]- 407.07072 199.4
[M+NH4]+ 426.11182 203.4
[M+K]+ 447.04116 194.9
[M+H-H2O]+ 391.07526 182.8
[M+HCOO]- 453.07620 207.3
[M+CH3COO]- 467.09185 228.0
[M+Na-2H]- 429.05267 197.1
[M]+ 408.07745 195.0
[M]- 408.07855 195.0
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