CID 212891

Carbazole-1,3,6-trisulfonanisidide

Structural Information

Molecular Formula
C33H30N4O9S3
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC4=C3C=C(C=C4S(=O)(=O)NC5=CC=C(C=C5)OC)S(=O)(=O)NC6=CC=C(C=C6)OC
InChI
InChI=1S/C33H30N4O9S3/c1-44-24-10-4-21(5-11-24)35-47(38,39)27-16-17-31-29(18-27)30-19-28(48(40,41)36-22-6-12-25(45-2)13-7-22)20-32(33(30)34-31)49(42,43)37-23-8-14-26(46-3)15-9-23/h4-20,34-37H,1-3H3
InChIKey
OPDVNFNWYHXBIY-UHFFFAOYSA-N
Compound name
1-N,3-N,6-N-tris(4-methoxyphenyl)-9H-carbazole-1,3,6-trisulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

722.1175 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.12478 251.5
[M+Na]+ 745.10672 261.4
[M+NH4]+ 740.15132 253.8
[M+K]+ 761.08066 253.9
[M-H]- 721.11022 256.5
[M+Na-2H]- 743.09217 260.9
[M]+ 722.11695 255.5
[M]- 722.11805 255.5
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.