CID 90134

2-(methylsulfonyl)-10h-phenothiazine

Structural Information

Molecular Formula
C13H11NO2S2
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C13H11NO2S2/c1-18(15,16)9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-13/h2-8,14H,1H3
InChIKey
XMSALNTWEPZQLO-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

277.02313 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03041 155.3
[M+Na]+ 300.01235 165.1
[M-H]- 276.01585 157.7
[M+NH4]+ 295.05695 172.3
[M+K]+ 315.98629 158.6
[M+H-H2O]+ 260.02039 149.9
[M+HCOO]- 322.02133 163.0
[M+CH3COO]- 336.03698 166.4
[M+Na-2H]- 297.99780 162.0
[M]+ 277.02258 156.8
[M]- 277.02368 156.8
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