CID 6447124

71933-32-9

Structural Information

Molecular Formula
C15H18ClN3O3S2
SMILES
C1COCCN1C/C=C/2\CN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClN3O3S2/c16-12-1-3-14(4-2-12)24(20,21)18-15-17-11-13(23-15)5-6-19-7-9-22-10-8-19/h1-5H,6-11H2,(H,17,18)/b13-5+
InChIKey
PARZGKNHBDLZJB-WLRTZDKTSA-N
Compound name
4-chloro-N-[(5E)-5-(2-morpholin-4-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.04782 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05510 186.7
[M+Na]+ 410.03704 193.5
[M-H]- 386.04054 193.7
[M+NH4]+ 405.08164 197.3
[M+K]+ 426.01098 187.7
[M+H-H2O]+ 370.04508 179.8
[M+HCOO]- 432.04602 190.2
[M+CH3COO]- 446.06167 195.3
[M+Na-2H]- 408.02249 186.4
[M]+ 387.04727 187.1
[M]- 387.04837 187.1
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.