CID 234768

2-phenyl-4h-1,4-benzothiazin-3-one

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15-14/h1-9,13H,(H,15,16)
InChIKey
DLALSZUJBMNOHZ-UHFFFAOYSA-N
Compound name
2-phenyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

60
Patents

241.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.063416 149.8
[M+Na]+ 264.045358 158.0
[M-H]- 240.048864 154.6
[M+NH4]+ 259.089963 166.8
[M+K]+ 280.019298 151.9
[M+H-H2O]+ 224.053400 142.6
[M+HCOO]- 286.054341 163.9
[M+CH3COO]- 300.069991 161.4
[M+Na-2H]- 262.030806 154.7
[M]+ 241.05559142 147.4
[M]- 241.05668858 147.4
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

patents stripe