CID 506495

1-[(4-chlorophenyl)methyl]-3-ethyl-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-one

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₃S

SMILES

CCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN2O3S/c1-2-18-16(20)14-5-3-4-6-15(14)19(23(18,21)22)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3

InChIKey

HORMCYCRRFAFAU-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]-3-ethyl-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 350.0492 Da
Monoisotopic Mass: 3.0
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]+	351.056476	174.0
[M+Na]+	373.038418	185.7
[M-H]-	349.041924	179.5
[M+NH4]+	368.083023	189.2
[M+K]+	389.012358	179.1
[M+H-H2O]+	333.046460	166.5
[M+HCOO]-	395.047401	183.5
[M+CH3COO]-	409.063051	185.2
[M+Na-2H]-	371.023866	177.3
[M]+	350.04865142	179.6
[M]-	350.04974858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.