CID 117886

26868-32-6

Structural Information

Molecular Formula
C21H15BrN2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br
InChI
InChI=1S/C21H15BrN2O4S/c1-11-6-8-12(9-7-11)29(27,28)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3
InChIKey
BDJMCMGZOMQUMJ-UHFFFAOYSA-N
Compound name
N-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

469.9936 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.00088 184.3
[M+Na]+ 492.98282 188.8
[M+NH4]+ 488.02742 188.1
[M+K]+ 508.95676 186.9
[M-H]- 468.98632 187.5
[M+Na-2H]- 490.96827 188.3
[M]+ 469.99305 185.2
[M]- 469.99415 185.2
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

patents stripe