CID 15959326

1,1-dioxo-3-phenyl-3,4-dihydro-2h-1$l^{6},4-benzothiazine-2-carbonitrile

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
C1=CC=C(C=C1)C2C(S(=O)(=O)C3=CC=CC=C3N2)C#N
InChI
InChI=1S/C15H12N2O2S/c16-10-14-15(11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)20(14,18)19/h1-9,14-15,17H
InChIKey
RZMCWZGUCMAUDS-UHFFFAOYSA-N
Compound name
1,1-dioxo-3-phenyl-3,4-dihydro-2H-1lambda6,4-benzothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 170.3
[M+Na]+ 307.05117 182.7
[M-H]- 283.05467 174.6
[M+NH4]+ 302.09577 185.9
[M+K]+ 323.02511 173.9
[M+H-H2O]+ 267.05921 157.0
[M+HCOO]- 329.06015 181.2
[M+CH3COO]- 343.07580 180.0
[M+Na-2H]- 305.03662 174.1
[M]+ 284.06140 164.6
[M]- 284.06250 164.6
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.