CID 3070327

86346-78-3

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC=C(C=C3)Cl)O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H19ClN2OS/c20-16-9-7-15(8-10-16)19(23)17(24-18-21-12-13-22(18)19)11-6-14-4-2-1-3-5-14/h1-5,7-10,17,23H,6,11-13H2
InChIKey
MEGNZURPRPZTQJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09067 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09795 183.3
[M+Na]+ 381.07989 193.2
[M-H]- 357.08339 190.7
[M+NH4]+ 376.12449 201.0
[M+K]+ 397.05383 185.8
[M+H-H2O]+ 341.08793 176.1
[M+HCOO]- 403.08887 193.0
[M+CH3COO]- 417.10452 193.8
[M+Na-2H]- 379.06534 181.9
[M]+ 358.09012 186.2
[M]- 358.09122 186.2
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.