CID 366106

Nsc634393

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃S

SMILES

C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O

InChI

InChI=1S/C16H14N2O3S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)22(14)21/h1-9,14H,10H2,(H,17,19)(H,18,20)

InChIKey

YQSBLURPJKRNCP-UHFFFAOYSA-N

Compound name

2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.0725 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.079776	167.9
[M+Na]+	337.061718	174.8
[M-H]-	313.065224	172.4
[M+NH4]+	332.106323	181.2
[M+K]+	353.035658	168.7
[M+H-H2O]+	297.069760	159.9
[M+HCOO]-	359.070701	181.8
[M+CH3COO]-	373.086351	177.8
[M+Na-2H]-	335.047166	171.0
[M]+	314.07195142	166.6
[M]-	314.07304858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.