CID 988097

303059-34-9

Structural Information

Molecular Formula
C29H28N2O4S2
SMILES
CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)NC5=CC=CC(=C5C)C)C
InChI
InChI=1S/C29H28N2O4S2/c1-18-7-5-9-28(20(18)3)30-36(32,33)24-11-13-26-22(16-24)15-23-17-25(12-14-27(23)26)37(34,35)31-29-10-6-8-19(2)21(29)4/h5-14,16-17,30-31H,15H2,1-4H3
InChIKey
DPHJGRDVXCSBPJ-UHFFFAOYSA-N
Compound name
2-N,7-N-bis(2,3-dimethylphenyl)-9H-fluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

532.14905 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.15633 228.0
[M+Na]+ 555.13827 236.4
[M-H]- 531.14177 238.8
[M+NH4]+ 550.18287 237.4
[M+K]+ 571.11221 229.2
[M+H-H2O]+ 515.14631 220.3
[M+HCOO]- 577.14725 238.6
[M+CH3COO]- 591.16290 249.8
[M+Na-2H]- 553.12372 232.1
[M]+ 532.14850 234.6
[M]- 532.14960 234.6
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.