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]+ 346.04454 176.8
[M+Na]+ 368.02648 185.6
[M-H]- 344.02998 184.0
[M+NH4]+ 363.07108 192.4
[M+K]+ 384.00042 179.7
[M+H-H2O]+ 328.03452 170.2
[M+HCOO]- 390.03546 187.3
[M+CH3COO]- 404.05111 211.5
[M+Na-2H]- 366.01193 177.8
[M]+ 345.03671 183.3
[M]- 345.03781 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.