CID 135410909

Nnc-55-0118

Structural Information

Molecular Formula

C₈H₁₀ClN₃O₂S₂

SMILES

CC(C)N=C1NC2=C(SC(=C2)Cl)S(=O)(=O)N1

InChI

InChI=1S/C8H10ClN3O2S2/c1-4(2)10-8-11-5-3-6(9)15-7(5)16(13,14)12-8/h3-4H,1-2H3,(H2,10,11,12)

InChIKey

NDBOSDQLHXHDSC-UHFFFAOYSA-N

Compound name

6-chloro-1,1-dioxo-N-propan-2-yl-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 50
Patents: 278.9903 Da
Monoisotopic Mass: 2.0
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]+	279.99758	156.6
[M+Na]+	301.97952	165.9
[M+NH4]+	297.02412	165.2
[M+K]+	317.95346	157.1
[M-H]-	277.98302	156.2
[M+Na-2H]-	299.96497	159.5
[M]+	278.98975	158.8
[M]-	278.99085	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe