CID 681904

Chembl3815104

Structural Information

Molecular Formula
C16H10N2OS
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C16H10N2OS/c19-15-14(10-11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-10H/b14-10+
InChIKey
OEVRFKOPFYXHEU-GXDHUFHOSA-N
Compound name
(2E)-2-benzylidene-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.0514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05868 161.7
[M+Na]+ 301.04062 176.8
[M-H]- 277.04412 170.3
[M+NH4]+ 296.08522 182.3
[M+K]+ 317.01456 170.0
[M+H-H2O]+ 261.04866 155.4
[M+HCOO]- 323.04960 183.0
[M+CH3COO]- 337.06525 176.2
[M+Na-2H]- 299.02607 165.6
[M]+ 278.05085 168.7
[M]- 278.05195 168.7
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.