CID 3070329

86346-79-4

Structural Information

Molecular Formula
C19H18Cl2N2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC(=C(C=C3)Cl)Cl)O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H18Cl2N2OS/c20-15-8-7-14(12-16(15)21)19(24)17(25-18-22-10-11-23(18)19)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,17,24H,6,9-11H2
InChIKey
OBZHTSFSFCEIKB-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-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

2
Patents

392.0517 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.05898 189.8
[M+Na]+ 415.04092 200.7
[M-H]- 391.04442 196.8
[M+NH4]+ 410.08552 206.8
[M+K]+ 431.01486 192.5
[M+H-H2O]+ 375.04896 183.1
[M+HCOO]- 437.04990 194.4
[M+CH3COO]- 451.06555 199.8
[M+Na-2H]- 413.02637 187.0
[M]+ 392.05115 194.1
[M]- 392.05225 194.1
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