CID 1870965

2-((4-chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C16H9ClN2OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3
InChI
InChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-9H/b14-9+
InChIKey
KXQILZSNILUVNI-NTEUORMPSA-N
Compound name
(2E)-2-[(4-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]+ 313.01970 170.4
[M+Na]+ 335.00164 186.8
[M-H]- 311.00514 179.0
[M+NH4]+ 330.04624 190.6
[M+K]+ 350.97558 178.7
[M+H-H2O]+ 295.00968 164.4
[M+HCOO]- 357.01062 186.8
[M+CH3COO]- 371.02627 184.5
[M+Na-2H]- 332.98709 172.8
[M]+ 312.01187 179.7
[M]- 312.01297 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.