CID 467112

Schembl7337608

Structural Information

Molecular Formula
C18H16N2OS
SMILES
C1=CC=C(C=C1)CCC(C2=CN=C3N2C4=CC=CC=C4S3)O
InChI
InChI=1S/C18H16N2OS/c21-16(11-10-13-6-2-1-3-7-13)15-12-19-18-20(15)14-8-4-5-9-17(14)22-18/h1-9,12,16,21H,10-11H2
InChIKey
WUWMQSMDIWQMSF-UHFFFAOYSA-N
Compound name
1-imidazo[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

308.09833 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 170.0
[M+Na]+ 331.08755 181.7
[M-H]- 307.09105 176.5
[M+NH4]+ 326.13215 188.3
[M+K]+ 347.06149 175.4
[M+H-H2O]+ 291.09559 163.5
[M+HCOO]- 353.09653 187.8
[M+CH3COO]- 367.11218 182.4
[M+Na-2H]- 329.07300 172.5
[M]+ 308.09778 176.4
[M]- 308.09888 176.4
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