CID 212888

25339-03-1

Structural Information

Molecular Formula
C24H17N5O8S2
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC4=C(C(=C(C=C34)S(=O)(=O)NC5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C24H17N5O8S2/c30-28(31)23-21(39(36,37)27-16-9-5-2-6-10-16)14-19-18-13-17(38(34,35)26-15-7-3-1-4-8-15)11-12-20(18)25-22(19)24(23)29(32)33/h1-14,25-27H
InChIKey
GEGYETSMMIQJAX-UHFFFAOYSA-N
Compound name
1,2-dinitro-3-N,6-N-diphenyl-9H-carbazole-3,6-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.0519 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.05918 210.6
[M+Na]+ 590.04112 221.9
[M+NH4]+ 585.08572 214.3
[M+K]+ 606.01506 220.9
[M-H]- 566.04462 216.5
[M+Na-2H]- 588.02657 218.9
[M]+ 567.05135 214.2
[M]- 567.05245 214.2
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.