CID 474587

3-methylsulfanyl-1-phenyl-3h,4h-1.lamda.4-benzo[1,2,4]thiadiazine 1-oxide

Structural Information

Molecular Formula
C14H14N2OS2
SMILES
CSC1NC2=CC=CC=C2S(=N1)(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2OS2/c1-18-14-15-12-9-5-6-10-13(12)19(17,16-14)11-7-3-2-4-8-11/h2-10,14-15H,1H3
InChIKey
RNSDXWMXUCRYLH-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-2-phenyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraene 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.05475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06203 158.2
[M+Na]+ 313.04397 168.5
[M-H]- 289.04747 161.6
[M+NH4]+ 308.08857 174.3
[M+K]+ 329.01791 161.1
[M+H-H2O]+ 273.05201 151.2
[M+HCOO]- 335.05295 167.2
[M+CH3COO]- 349.06860 169.1
[M+Na-2H]- 311.02942 163.8
[M]+ 290.05420 159.1
[M]- 290.05530 159.1
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

No patent data available for this compound.