CID 6476999

Nsc109002

Structural Information

Molecular Formula
C12H9ClN2OS
SMILES
C1CN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=N1
InChI
InChI=1S/C12H9ClN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2/b10-7-
InChIKey
QMUXVUWKUDKJLK-YFHOEESVSA-N
Compound name
(2Z)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.01242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01970 157.4
[M+Na]+ 287.00164 171.2
[M-H]- 263.00514 164.3
[M+NH4]+ 282.04624 178.3
[M+K]+ 302.97558 164.9
[M+H-H2O]+ 247.00968 151.6
[M+HCOO]- 309.01062 172.5
[M+CH3COO]- 323.02627 171.3
[M+Na-2H]- 284.98709 157.9
[M]+ 264.01187 163.1
[M]- 264.01297 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.