CID 3055037

71933-43-2

Structural Information

Molecular Formula
C13H16ClN3O2S2
SMILES
CN(C)CCC1=CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClN3O2S2/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey
MJHNAQQQCSTZNA-UHFFFAOYSA-N
Compound name
4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03726 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.044536 176.8
[M+Na]+ 368.026478 185.6
[M-H]- 344.029984 184.0
[M+NH4]+ 363.071083 192.4
[M+K]+ 384.000418 179.7
[M+H-H2O]+ 328.034520 170.2
[M+HCOO]- 390.035461 187.3
[M+CH3COO]- 404.051111 211.5
[M+Na-2H]- 366.011926 177.8
[M]+ 345.03671142 183.3
[M]- 345.03780858 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.