CID 474582

4-methyl-1-oxo-1-phenyl-4h-1.lamda.6-benzo[1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
CN1C2=CC=CC=C2S(=NC1=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2O2S/c1-16-12-9-5-6-10-13(12)19(18,15-14(16)17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
CNTPHPJYXLWKML-UHFFFAOYSA-N
Compound name
5-methyl-2-oxo-2-phenyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.06195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06923 157.7
[M+Na]+ 295.05117 169.2
[M-H]- 271.05467 163.4
[M+NH4]+ 290.09577 175.0
[M+K]+ 311.02511 163.8
[M+H-H2O]+ 255.05921 149.4
[M+HCOO]- 317.06015 173.6
[M+CH3COO]- 331.07580 170.2
[M+Na-2H]- 293.03662 164.2
[M]+ 272.06140 160.4
[M]- 272.06250 160.4
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.