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 217.3
[M+Na]+ 590.04112 217.5
[M-H]- 566.04462 224.6
[M+NH4]+ 585.08572 218.6
[M+K]+ 606.01506 203.8
[M+H-H2O]+ 550.04916 216.1
[M+HCOO]- 612.05010 228.0
[M+CH3COO]- 626.06575 234.5
[M+Na-2H]- 588.02657 234.5
[M]+ 567.05135 214.7
[M]- 567.05245 214.7
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.