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 231.4
[M+Na]+ 569.11752 240.0
[M-H]- 545.12102 242.3
[M+NH4]+ 564.16212 240.0
[M+K]+ 585.09146 233.2
[M+H-H2O]+ 529.12556 223.6
[M+HCOO]- 591.12650 242.0
[M+CH3COO]- 605.14215 252.8
[M+Na-2H]- 567.10297 235.3
[M]+ 546.12775 238.9
[M]- 546.12885 238.9
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.