CID 460411

Chembl558604

Structural Information

Molecular Formula
C17H12ClN3O2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C4=CSC(=N4)N
InChI
InChI=1S/C17H12ClN3O2S2/c18-10-6-7-13-12(8-10)16(15(20-13)14-9-24-17(19)21-14)25(22,23)11-4-2-1-3-5-11/h1-9,20H,(H2,19,21)
InChIKey
BJERBEHPKAMWQD-UHFFFAOYSA-N
Compound name
4-[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.00595 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.01323 188.5
[M+Na]+ 411.99517 202.1
[M-H]- 387.99867 197.2
[M+NH4]+ 407.03977 203.3
[M+K]+ 427.96911 193.4
[M+H-H2O]+ 372.00321 183.6
[M+HCOO]- 434.00415 197.3
[M+CH3COO]- 448.01980 199.6
[M+Na-2H]- 409.98062 189.0
[M]+ 389.00540 194.2
[M]- 389.00650 194.2
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.