CID 467114

Schembl7332741

Structural Information

Molecular Formula
C18H15FN2OS
SMILES
C1=CC=C(C=C1)CCC(C2=CN=C3N2C4=C(S3)C=C(C=C4)F)O
InChI
InChI=1S/C18H15FN2OS/c19-13-7-8-14-17(10-13)23-18-20-11-15(21(14)18)16(22)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,16,22H,6,9H2
InChIKey
QFINJUUFKBFAFC-UHFFFAOYSA-N
Compound name
1-(6-fluoroimidazo[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

326.0889 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09618 172.6
[M+Na]+ 349.07812 185.1
[M-H]- 325.08162 178.0
[M+NH4]+ 344.12272 190.4
[M+K]+ 365.05206 178.3
[M+H-H2O]+ 309.08616 165.3
[M+HCOO]- 371.08710 189.3
[M+CH3COO]- 385.10275 184.7
[M+Na-2H]- 347.06357 173.9
[M]+ 326.08835 178.5
[M]- 326.08945 178.5
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.