CID 203832

6,7-dihydro-2,3-diphenyl-5h-imidazo(2,1-b)thiazol-4-ium chloride

Structural Information

Molecular Formula
C17H15N2S
SMILES
C1C[N+]2=C(N1)SC(=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2S/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)20-17-18-11-12-19(15)17/h1-10H,11-12H2/p+1
InChIKey
AHUGRPRBBLPQIN-UHFFFAOYSA-O
Compound name
2,3-diphenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.09558 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10286 157.7
[M+Na]+ 302.08480 174.5
[M+NH4]+ 297.12940 169.2
[M+K]+ 318.05874 167.8
[M-H]- 278.08830 165.6
[M+Na-2H]- 300.07025 168.1
[M]+ 279.09503 163.3
[M]- 279.09613 163.3
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.