CID 10150497

554403-49-5

Structural Information

Molecular Formula
C15H13ClN4O2S2
SMILES
C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN
InChI
InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
InChIKey
RYBOXBBYCVOYNO-UHFFFAOYSA-N
Compound name
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

47
Patents

380.01685 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.024126 189.0
[M+Na]+ 403.006068 204.9
[M-H]- 379.009574 196.8
[M+NH4]+ 398.050673 207.0
[M+K]+ 418.980008 198.5
[M+H-H2O]+ 363.014110 185.4
[M+HCOO]- 425.015051 199.4
[M+CH3COO]- 439.030701 201.3
[M+Na-2H]- 400.991516 189.0
[M]+ 380.01630142 200.1
[M]- 380.01739858 200.1
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

patents stripe