CID 101893383

1374770-41-8

Structural Information

Molecular Formula
C36H24N2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2)N3C4=CC=CC=C4C5=CC=CC=C53)N6C7=CC=CC=C7C8=CC=CC=C86
InChI
InChI=1S/C36H24N2O2S/c39-41(40,27-12-2-1-3-13-27)28-23-25(37-33-18-8-4-14-29(33)30-15-5-9-19-34(30)37)22-26(24-28)38-35-20-10-6-16-31(35)32-17-7-11-21-36(32)38/h1-24H
InChIKey
WNSLPGYMTNRXKB-UHFFFAOYSA-N
Compound name
9-[3-(benzenesulfonyl)-5-carbazol-9-ylphenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

548.1558 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.16308 236.4
[M+Na]+ 571.14502 248.9
[M-H]- 547.14852 251.6
[M+NH4]+ 566.18962 245.6
[M+K]+ 587.11896 239.4
[M+H-H2O]+ 531.15306 225.7
[M+HCOO]- 593.15400 251.0
[M+CH3COO]- 607.16965 244.7
[M+Na-2H]- 569.13047 239.0
[M]+ 548.15525 243.7
[M]- 548.15635 243.7
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

patents stripe