CID 2802738

256955-60-9

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂S

SMILES

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

InChI

InChI=1S/C17H16N2O2S/c20-16(18-11-12-6-2-1-3-7-12)10-15-17(21)19-13-8-4-5-9-14(13)22-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)

InChIKey

JEUQSVWLOPCDJW-UHFFFAOYSA-N

Compound name

N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 312.09326 Da
Monoisotopic Mass: 2.2
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]+	313.10054	168.8
[M+Na]+	335.08248	174.4
[M-H]-	311.08598	172.7
[M+NH4]+	330.12708	182.1
[M+K]+	351.05642	168.0
[M+H-H2O]+	295.09052	160.6
[M+HCOO]-	357.09146	182.1
[M+CH3COO]-	371.10711	178.1
[M+Na-2H]-	333.06793	172.0
[M]+	312.09271	166.7
[M]-	312.09381	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe