CID 118986699

Fin56

Structural Information

Molecular Formula
C25H31N3O5S2
SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5
InChI
InChI=1S/C25H31N3O5S2/c29-26-25-23-15-19(34(30,31)27-17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)35(32,33)28-18-9-5-2-6-10-18/h11-18,27-29H,1-10H2
InChIKey
JLCFMMIWBSZOIS-UHFFFAOYSA-N
Compound name
2-N,7-N-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

124
Patents

517.17053 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.17781 207.8
[M+Na]+ 540.15975 213.7
[M+NH4]+ 535.20435 213.6
[M+K]+ 556.13369 207.2
[M-H]- 516.16325 212.2
[M+Na-2H]- 538.14520 213.1
[M]+ 517.16998 210.4
[M]- 517.17108 210.4
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

patents stripe