CID 10451940

Chembl4282866

Structural Information

Molecular Formula
C19H20N2O2S2
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+
InChIKey
IYTCMWSUAKFEFW-SDNWHVSQSA-N
Compound name
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.09662 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10390 188.4
[M+Na]+ 395.08584 198.0
[M-H]- 371.08934 196.2
[M+NH4]+ 390.13044 203.5
[M+K]+ 411.05978 191.4
[M+H-H2O]+ 355.09388 181.0
[M+HCOO]- 417.09482 202.3
[M+CH3COO]- 431.11047 216.5
[M+Na-2H]- 393.07129 190.5
[M]+ 372.09607 195.5
[M]- 372.09717 195.5
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

No patent data available for this compound.