CID 989114

N-[2-(4-oxo-4h-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide

Structural Information

Molecular Formula
C21H16N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3
InChIKey
LIVHLIWSCIZRJU-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

12
Patents

392.08307 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09035 191.0
[M+Na]+ 415.07229 200.9
[M-H]- 391.07579 201.7
[M+NH4]+ 410.11689 200.4
[M+K]+ 431.04623 195.8
[M+H-H2O]+ 375.08033 181.1
[M+HCOO]- 437.08127 207.6
[M+CH3COO]- 451.09692 201.6
[M+Na-2H]- 413.05774 198.0
[M]+ 392.08252 195.5
[M]- 392.08362 195.5
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