CID 3059691

Acetic acid, (p-(5,6-dihydroimidazo(2,1-b)thiazol-3-yl)phenyl)-, ethyl ester, hydrobromide

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
CCOC(=O)CC1=CC=C(C=C1)C2=CSC3=NCCN23
InChI
InChI=1S/C15H16N2O2S/c1-2-19-14(18)9-11-3-5-12(6-4-11)13-10-20-15-16-7-8-17(13)15/h3-6,10H,2,7-9H2,1H3
InChIKey
IWKFXHPHQCKILH-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09326 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.100536 167.1
[M+Na]+ 311.082478 176.0
[M-H]- 287.085984 172.9
[M+NH4]+ 306.127083 185.6
[M+K]+ 327.056418 172.5
[M+H-H2O]+ 271.090520 160.2
[M+HCOO]- 333.091461 183.5
[M+CH3COO]- 347.107111 179.0
[M+Na-2H]- 309.067926 165.8
[M]+ 288.09271142 171.6
[M]- 288.09380858 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.