CID 3070347

86346-88-5

Structural Information

Molecular Formula
C19H19BrN2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC=C(C=C3)Br)O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H19BrN2OS/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
KWAYKZIAEIJMKZ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-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

402.04016 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.04744 181.0
[M+Na]+ 425.02938 193.4
[M-H]- 401.03288 191.1
[M+NH4]+ 420.07398 200.2
[M+K]+ 441.00332 180.6
[M+H-H2O]+ 385.03742 181.4
[M+HCOO]- 447.03836 194.1
[M+CH3COO]- 461.05401 193.8
[M+Na-2H]- 423.01483 182.2
[M]+ 402.03961 201.0
[M]- 402.04071 201.0
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.