CID 102139227

1623010-64-9

Structural Information

Molecular Formula
C31H19NO3S
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)S(=O)(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C72
InChI
InChI=1S/C31H19NO3S/c33-31-24-11-5-7-13-29(24)36(34,35)30-17-15-21(19-26(30)31)20-14-16-28-25(18-20)23-10-4-6-12-27(23)32(28)22-8-2-1-3-9-22/h1-19H
InChIKey
KXZTVYSHCPHNBL-UHFFFAOYSA-N
Compound name
10,10-dioxo-2-(9-phenylcarbazol-3-yl)thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

485.10855 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.11583 214.2
[M+Na]+ 508.09777 235.5
[M+NH4]+ 503.14237 226.0
[M+K]+ 524.07171 220.8
[M-H]- 484.10127 223.8
[M+Na-2H]- 506.08322 226.0
[M]+ 485.10800 221.3
[M]- 485.10910 221.3
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