CID 135413564

Brassilexin

Structural Information

Molecular Formula
C9H6N2S
SMILES
C1=CC=C2C(=C1)C3=C(N2)SN=C3
InChI
InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
InChIKey
NHMBEDDKDVIBQD-UHFFFAOYSA-N
Compound name
4H-[1,2]thiazolo[5,4-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

264
Patents

174.02516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03244 130.9
[M+Na]+ 197.01438 145.7
[M+NH4]+ 192.05898 141.6
[M+K]+ 212.98832 139.6
[M-H]- 173.01788 133.4
[M+Na-2H]- 194.99983 138.0
[M]+ 174.02461 134.3
[M]- 174.02571 134.3
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