CID 460410

Chembl144742

Structural Information

Molecular Formula
C17H13ClN2O2S2
SMILES
C1CSC(=N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H13ClN2O2S2/c18-11-6-7-14-13(10-11)16(15(20-14)17-19-8-9-23-17)24(21,22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKey
STOLNPJKXCPOCG-UHFFFAOYSA-N
Compound name
2-[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.01798 186.3
[M+Na]+ 398.99992 199.3
[M-H]- 375.00342 194.9
[M+NH4]+ 394.04452 202.0
[M+K]+ 414.97386 191.3
[M+H-H2O]+ 359.00796 181.4
[M+HCOO]- 421.00890 193.6
[M+CH3COO]- 435.02455 197.5
[M+Na-2H]- 396.98537 186.1
[M]+ 376.01015 191.9
[M]- 376.01125 191.9
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.