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 191.9
[M+Na]+ 492.98282 203.5
[M-H]- 468.98632 201.9
[M+NH4]+ 488.02742 205.5
[M+K]+ 508.95676 190.2
[M+H-H2O]+ 452.99086 189.5
[M+HCOO]- 514.99180 205.2
[M+CH3COO]- 529.00745 233.7
[M+Na-2H]- 490.96827 197.6
[M]+ 469.99305 212.5
[M]- 469.99415 212.5
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