CID 689165

23983-05-3

Structural Information

Molecular Formula
C16H9ClN2OS
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl
InChI
InChI=1S/C16H9ClN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
InChIKey
LSMPFFSYANAQSU-ZROIWOOFSA-N
Compound name
(2Z)-2-[(2-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.01242 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01970 167.4
[M+Na]+ 335.00164 185.7
[M+NH4]+ 330.04624 177.6
[M+K]+ 350.97558 177.1
[M-H]- 311.00514 172.3
[M+Na-2H]- 332.98709 176.0
[M]+ 312.01187 172.4
[M]- 312.01297 172.4
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.