CID 641263

3285-53-8

Structural Information

Molecular Formula
C15H13NO3S2
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H13NO3S2/c1-16(2)21(18,19)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,1-2H3
InChIKey
LSCIJUOPVFDTTJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-9-oxothioxanthene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

319.0337 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.040976 166.6
[M+Na]+ 342.022918 177.5
[M-H]- 318.026424 173.5
[M+NH4]+ 337.067523 184.2
[M+K]+ 357.996858 172.4
[M+H-H2O]+ 302.030960 160.1
[M+HCOO]- 364.031901 180.3
[M+CH3COO]- 378.047551 208.4
[M+Na-2H]- 340.008366 174.0
[M]+ 319.03315142 174.1
[M]- 319.03424858 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe