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 164.2
[M+Na]+ 302.08480 173.4
[M-H]- 278.08830 172.2
[M+NH4]+ 297.12940 181.8
[M+K]+ 318.05874 161.6
[M+H-H2O]+ 262.09284 159.4
[M+HCOO]- 324.09378 180.2
[M+CH3COO]- 338.10943 175.8
[M+Na-2H]- 300.07025 166.9
[M]+ 279.09503 162.4
[M]- 279.09613 162.4
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.