CID 385096

Nsc676031

Structural Information

Molecular Formula
C19H16N2O2S
SMILES
C1=CC=C(C=C1)NC2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C19H16N2O2S/c22-24(23)18-14-8-7-13-17(18)19(20-15-9-3-1-4-10-15)21(24)16-11-5-2-6-12-16/h1-14,19-20H
InChIKey
VXCHCAXOIAGERL-UHFFFAOYSA-N
Compound name
1,1-dioxo-N,2-diphenyl-3H-1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09326 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10054 176.0
[M+Na]+ 359.08248 186.0
[M-H]- 335.08598 186.0
[M+NH4]+ 354.12708 193.1
[M+K]+ 375.05642 179.4
[M+H-H2O]+ 319.09052 167.5
[M+HCOO]- 381.09146 194.9
[M+CH3COO]- 395.10711 187.7
[M+Na-2H]- 357.06793 180.4
[M]+ 336.09271 177.7
[M]- 336.09381 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.