CID 6445802

41776-77-6

Structural Information

Molecular Formula
C16H9ClN2OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC(=CC=C4)Cl)/S3
InChI
InChI=1S/C16H9ClN2OS/c17-11-5-3-4-10(8-11)9-14-15(20)19-13-7-2-1-6-12(13)18-16(19)21-14/h1-9H/b14-9+
InChIKey
YUGGAQMINVHYSZ-NTEUORMPSA-N
Compound name
(2E)-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 313.019696 170.4
[M+Na]+ 335.001638 186.8
[M-H]- 311.005144 179.0
[M+NH4]+ 330.046243 190.6
[M+K]+ 350.975578 178.7
[M+H-H2O]+ 295.009680 164.4
[M+HCOO]- 357.010621 186.8
[M+CH3COO]- 371.026271 184.5
[M+Na-2H]- 332.987086 172.8
[M]+ 312.01187142 179.7
[M]- 312.01296858 179.7
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.