CID 3428246

439688-68-3

Structural Information

Molecular Formula
C16H9ClN2OS
SMILES
C1=CC=C2C(=C1)N3C(=CN=C3S2)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)15(20)13-9-18-16-19(13)12-3-1-2-4-14(12)21-16/h1-9H
InChIKey
KRVHFRFRNSNHFQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-imidazo[2,1-b][1,3]benzothiazol-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.01242 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01970 169.5
[M+Na]+ 335.00164 184.3
[M-H]- 311.00514 177.8
[M+NH4]+ 330.04624 189.3
[M+K]+ 350.97558 177.4
[M+H-H2O]+ 295.00968 163.5
[M+HCOO]- 357.01062 184.8
[M+CH3COO]- 371.02627 183.2
[M+Na-2H]- 332.98709 171.8
[M]+ 312.01187 178.7
[M]- 312.01297 178.7
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.