CID 85760249

Refchem:931767

Structural Information

Molecular Formula
C10H8N2OS
SMILES
CON1C2=CC=CC=C2C3=C1SN=C3
InChI
InChI=1S/C10H8N2OS/c1-13-12-9-5-3-2-4-7(9)8-6-11-14-10(8)12/h2-6H,1H3
InChIKey
MCKJZUFMGOTAKT-UHFFFAOYSA-N
Compound name
4-methoxy-[1,2]thiazolo[5,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

41
Patents

204.03574 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 139.4
[M+Na]+ 227.024958 154.2
[M-H]- 203.028464 144.7
[M+NH4]+ 222.069563 163.3
[M+K]+ 242.998898 150.7
[M+H-H2O]+ 187.033000 134.3
[M+HCOO]- 249.033941 160.9
[M+CH3COO]- 263.049591 155.2
[M+Na-2H]- 225.010406 145.1
[M]+ 204.03519142 148.0
[M]- 204.03628858 148.0
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