CID 5467405

Nsc652047

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
COC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\C4=NC(=O)CS4
InChI
InChI=1S/C19H15N3O2S/c1-24-13-8-6-12(7-9-13)10-14(19-22-17(23)11-25-19)18-20-15-4-2-3-5-16(15)21-18/h2-10H,11H2,1H3,(H,20,21)/b14-10-
InChIKey
MKLKMCAFEKLPRE-UVTDQMKNSA-N
Compound name
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 181.3
[M+Na]+ 372.07772 191.6
[M-H]- 348.08122 188.4
[M+NH4]+ 367.12232 195.0
[M+K]+ 388.05166 184.8
[M+H-H2O]+ 332.08576 173.3
[M+HCOO]- 394.08670 196.7
[M+CH3COO]- 408.10235 192.0
[M+Na-2H]- 370.06317 180.0
[M]+ 349.08795 184.5
[M]- 349.08905 184.5
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.