CID 988090

303059-33-8

Structural Information

Molecular Formula
C29H28N2O4S2
SMILES
CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)NC5=C(C=C(C=C5)C)C)C
InChI
InChI=1S/C29H28N2O4S2/c1-18-5-11-28(20(3)13-18)30-36(32,33)24-7-9-26-22(16-24)15-23-17-25(8-10-27(23)26)37(34,35)31-29-12-6-19(2)14-21(29)4/h5-14,16-17,30-31H,15H2,1-4H3
InChIKey
BNBQUKDQWJLXPD-UHFFFAOYSA-N
Compound name
2-N,7-N-bis(2,4-dimethylphenyl)-9H-fluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 225.4
[M+Na]+ 555.13827 238.7
[M+NH4]+ 550.18287 232.3
[M+K]+ 571.11221 228.9
[M-H]- 531.14177 231.9
[M+Na-2H]- 553.12372 233.5
[M]+ 532.14850 230.3
[M]- 532.14960 230.3
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

No patent data available for this compound.