CID 3070324

86346-72-7

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC(=CC=C3)Cl)O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H19ClN2OS/c20-16-8-4-7-15(13-16)19(23)17(24-18-21-11-12-22(18)19)10-9-14-5-2-1-3-6-14/h1-8,13,17,23H,9-12H2
InChIKey
QEBBYJKULIUCLC-UHFFFAOYSA-N
Compound name
3-(3-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

3
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 180.9
[M+Na]+ 381.07989 195.1
[M+NH4]+ 376.12449 191.9
[M+K]+ 397.05383 185.6
[M-H]- 357.08339 186.3
[M+Na-2H]- 379.06534 189.7
[M]+ 358.09012 185.5
[M]- 358.09122 185.5
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

patents stripe