CID 474581

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

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
C1=CC=C(C=C1)S2(=NC(=O)NC3=CC=CC=C32)=O
InChI
InChI=1S/C13H10N2O2S/c16-13-14-11-8-4-5-9-12(11)18(17,15-13)10-6-2-1-3-7-10/h1-9H,(H,14,15,16,17)
InChIKey
IYWCPTFJIKLZDX-UHFFFAOYSA-N
Compound name
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

258.0463 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 153.6
[M+Na]+ 281.03552 164.3
[M-H]- 257.03902 157.8
[M+NH4]+ 276.08012 170.5
[M+K]+ 297.00946 158.2
[M+H-H2O]+ 241.04356 145.8
[M+HCOO]- 303.04450 168.5
[M+CH3COO]- 317.06015 165.6
[M+Na-2H]- 279.02097 161.1
[M]+ 258.04575 153.8
[M]- 258.04685 153.8
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

No patent data available for this compound.