CID 45060

63904-87-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S₂

SMILES

CC(C)NS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H12N2O2S2/c1-7(2)12-16(13,14)10-11-8-5-3-4-6-9(8)15-10/h3-7,12H,1-2H3

InChIKey

KLHMXTMVXUYSKY-UHFFFAOYSA-N

Compound name

N-propan-2-yl-1,3-benzothiazole-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.03403 Da
Monoisotopic Mass: 2.5
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]+	257.04131	153.9
[M+Na]+	279.02325	164.3
[M-H]-	255.02675	157.7
[M+NH4]+	274.06785	173.1
[M+K]+	294.99719	159.8
[M+H-H2O]+	239.03129	148.5
[M+HCOO]-	301.03223	167.4
[M+CH3COO]-	315.04788	192.2
[M+Na-2H]-	277.00870	157.9
[M]+	256.03348	159.0
[M]-	256.03458	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe