CID 467115

Schembl7331144

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
COC1=CC2=C(C=C1)N3C(=CN=C3S2)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C19H18N2O2S/c1-23-14-8-9-15-18(11-14)24-19-20-12-16(21(15)19)17(22)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12,17,22H,7,10H2,1H3
InChIKey
FGZOXZPHEDMSOK-UHFFFAOYSA-N
Compound name
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-yl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.1089 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 178.3
[M+Na]+ 361.09812 189.9
[M-H]- 337.10162 184.9
[M+NH4]+ 356.14272 195.5
[M+K]+ 377.07206 184.1
[M+H-H2O]+ 321.10616 171.7
[M+HCOO]- 383.10710 195.8
[M+CH3COO]- 397.12275 190.3
[M+Na-2H]- 359.08357 179.8
[M]+ 338.10835 186.7
[M]- 338.10945 186.7
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.