CID 3122146

9-(hydroxyimino)-n2,n7-bis(1-phenylethyl)-9h-fluorene-2,7-disulfonamide

Structural Information

Molecular Formula
C29H27N3O5S2
SMILES
CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC(C)C5=CC=CC=C5
InChI
InChI=1S/C29H27N3O5S2/c1-19(21-9-5-3-6-10-21)31-38(34,35)23-13-15-25-26-16-14-24(18-28(26)29(30-33)27(25)17-23)39(36,37)32-20(2)22-11-7-4-8-12-22/h3-20,31-33H,1-2H3
InChIKey
DLIZEIUKNQTLLN-UHFFFAOYSA-N
Compound name
9-hydroxyimino-2-N,7-N-bis(1-phenylethyl)fluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

561.1392 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.14648 223.3
[M+Na]+ 584.12842 233.0
[M+NH4]+ 579.17302 228.5
[M+K]+ 600.10236 225.6
[M-H]- 560.13192 228.6
[M+Na-2H]- 582.11387 231.6
[M]+ 561.13865 227.0
[M]- 561.13975 227.0
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.