CID 3110548

4,5-dinitro-9-oxo-n(2),n(7)-bis(1-phenylethyl)-9h-fluorene-2,7-disulfonamide

Structural Information

Molecular Formula
C29H24N4O9S2
SMILES
CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C(=C2)[N+](=O)[O-])C4=C(C3=O)C=C(C=C4[N+](=O)[O-])S(=O)(=O)NC(C)C5=CC=CC=C5
InChI
InChI=1S/C29H24N4O9S2/c1-17(19-9-5-3-6-10-19)30-43(39,40)21-13-23-27(25(15-21)32(35)36)28-24(29(23)34)14-22(16-26(28)33(37)38)44(41,42)31-18(2)20-11-7-4-8-12-20/h3-18,30-31H,1-2H3
InChIKey
ZRBBDRCYDUNCAA-UHFFFAOYSA-N
Compound name
4,5-dinitro-9-oxo-2-N,7-N-bis(1-phenylethyl)fluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.09845 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.10573 227.0
[M+Na]+ 659.08767 236.0
[M+NH4]+ 654.13227 229.8
[M+K]+ 675.06161 244.7
[M-H]- 635.09117 232.5
[M+Na-2H]- 657.07312 233.7
[M]+ 636.09790 230.1
[M]- 636.09900 230.1
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.