CID 12116470

Benzenesulfonamide, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(2,4,6-trimethyl-n-phenyl-

Structural Information

Molecular Formula
C44H40N4O6S2
SMILES
CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)NC5=CC=CC=C5)C)C(=O)C6=CC=CC=C6C3=O)C)S(=O)(=O)NC7=CC=CC=C7)C
InChI
InChI=1S/C44H40N4O6S2/c1-25-23-27(3)43(55(51,52)47-31-15-9-7-10-16-31)29(5)39(25)45-35-21-22-36(38-37(35)41(49)33-19-13-14-20-34(33)42(38)50)46-40-26(2)24-28(4)44(30(40)6)56(53,54)48-32-17-11-8-12-18-32/h7-24,45-48H,1-6H3
InChIKey
NBRGONFEDJSOMB-UHFFFAOYSA-N
Compound name
3-[[9,10-dioxo-4-[2,4,6-trimethyl-3-(phenylsulfamoyl)anilino]anthracen-1-yl]amino]-2,4,6-trimethyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

784.23895 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.24623 279.5
[M+Na]+ 807.22817 282.5
[M-H]- 783.23167 292.4
[M+NH4]+ 802.27277 274.4
[M+K]+ 823.20211 277.3
[M+H-H2O]+ 767.23621 265.3
[M+HCOO]- 829.23715 286.0
[M+CH3COO]- 843.25280 304.1
[M+Na-2H]- 805.21362 285.0
[M]+ 784.23840 284.1
[M]- 784.23950 284.1
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