CID 3070321

86346-67-0

Structural Information

Molecular Formula
C19H20N2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC=CC=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H20N2OS/c22-19(16-9-5-2-6-10-16)17(23-18-20-13-14-21(18)19)12-11-15-7-3-1-4-8-15/h1-10,17,22H,11-14H2
InChIKey
NUXNCRDIOVCUOV-UHFFFAOYSA-N
Compound name
3-phenyl-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

5
Patents

324.12964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.136916 175.6
[M+Na]+ 347.118858 184.1
[M-H]- 323.122364 182.9
[M+NH4]+ 342.163463 193.6
[M+K]+ 363.092798 178.1
[M+H-H2O]+ 307.126900 168.0
[M+HCOO]- 369.127841 190.2
[M+CH3COO]- 383.143491 186.4
[M+Na-2H]- 345.104306 175.4
[M]+ 324.12909142 176.2
[M]- 324.13018858 176.2
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

patents stripe