CID 1918282

324773-64-0

Structural Information

Molecular Formula
C23H16N4O5S2
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=CC=CC=N5
InChI
InChI=1S/C23H16N4O5S2/c28-23-19-13-15(33(29,30)26-21-5-1-3-11-24-21)7-9-17(19)18-10-8-16(14-20(18)23)34(31,32)27-22-6-2-4-12-25-22/h1-14H,(H,24,26)(H,25,27)
InChIKey
KIYLRGFKEJIUIR-UHFFFAOYSA-N
Compound name
9-oxo-2-N,7-N-dipyridin-2-ylfluorene-2,7-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.0562 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06348 212.0
[M+Na]+ 515.04542 221.1
[M-H]- 491.04892 220.8
[M+NH4]+ 510.09002 219.6
[M+K]+ 531.01936 214.1
[M+H-H2O]+ 475.05346 204.1
[M+HCOO]- 537.05440 223.0
[M+CH3COO]- 551.07005 219.9
[M+Na-2H]- 513.03087 221.1
[M]+ 492.05565 217.0
[M]- 492.05675 217.0
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.