CID 2736621

114095-02-2

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CC=C2C(=C1)N3C=C(N=C3S2)CO
InChI
InChI=1S/C10H8N2OS/c13-6-7-5-12-8-3-1-2-4-9(8)14-10(12)11-7/h1-5,13H,6H2
InChIKey
CKPKCVPIDQOXIW-UHFFFAOYSA-N
Compound name
imidazo[2,1-b][1,3]benzothiazol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

204.03574 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 139.3
[M+Na]+ 227.024958 153.6
[M-H]- 203.028464 143.2
[M+NH4]+ 222.069563 162.5
[M+K]+ 242.998898 149.2
[M+H-H2O]+ 187.033000 134.5
[M+HCOO]- 249.033941 159.3
[M+CH3COO]- 263.049591 154.4
[M+Na-2H]- 225.010406 144.7
[M]+ 204.03519142 146.1
[M]- 204.03628858 146.1
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

patents stripe