CID 988110

303059-40-7

Structural Information

Molecular Formula
C29H26N2O5S2
SMILES
CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=CC(=C5C)C)C
InChI
InChI=1S/C29H26N2O5S2/c1-17-7-5-9-27(19(17)3)30-37(33,34)21-11-13-23-24-14-12-22(16-26(24)29(32)25(23)15-21)38(35,36)31-28-10-6-8-18(2)20(28)4/h5-16,30-31H,1-4H3
InChIKey
NIZOXWFUPALJJG-UHFFFAOYSA-N
Compound name
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

546.1283 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.13558 228.8
[M+Na]+ 569.11752 241.8
[M+NH4]+ 564.16212 234.8
[M+K]+ 585.09146 232.7
[M-H]- 545.12102 234.7
[M+Na-2H]- 567.10297 236.2
[M]+ 546.12775 233.4
[M]- 546.12885 233.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.