CID 3070341

86346-85-2

Structural Information

Molecular Formula
C23H22N2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC=CC4=CC=CC=C43)O)CCC5=CC=CC=C5
InChI
InChI=1S/C23H22N2OS/c26-23(20-12-6-10-18-9-4-5-11-19(18)20)21(27-22-24-15-16-25(22)23)14-13-17-7-2-1-3-8-17/h1-12,21,26H,13-16H2
InChIKey
JGLLDVVWJUHUSJ-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-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

374.1453 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15258 188.8
[M+Na]+ 397.13452 197.8
[M-H]- 373.13802 196.9
[M+NH4]+ 392.17912 205.7
[M+K]+ 413.10846 190.3
[M+H-H2O]+ 357.14256 180.6
[M+HCOO]- 419.14350 201.7
[M+CH3COO]- 433.15915 198.7
[M+Na-2H]- 395.11997 188.7
[M]+ 374.14475 190.0
[M]- 374.14585 190.0
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.