CID 403571

N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C14H12N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H12N2O2S2/c1-10-6-8-11(9-7-10)20(17,18)16-14-15-12-4-2-3-5-13(12)19-14/h2-9H,1H3,(H,15,16)
InChIKey
VIWASEZLLDVYMD-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

304.03403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.041306 166.3
[M+Na]+ 327.023248 177.9
[M-H]- 303.026754 173.6
[M+NH4]+ 322.067853 183.7
[M+K]+ 342.997188 171.5
[M+H-H2O]+ 287.031290 160.2
[M+HCOO]- 349.032231 181.4
[M+CH3COO]- 363.047881 178.8
[M+Na-2H]- 325.008696 171.4
[M]+ 304.03348142 171.5
[M]- 304.03457858 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe