CID 1557510

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-nitro-4-propoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O3S/c1-2-7-20-13-4-3-10(8-11(13)17(18)19)12-9-21-14-15-5-6-16(12)14/h3-4,8-9H,2,5-7H2,1H3
InChIKey
BOSSVQATRFCZTO-UHFFFAOYSA-N
Compound name
3-(3-nitro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

305.0834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.090676 169.2
[M+Na]+ 328.072618 176.9
[M-H]- 304.076124 175.2
[M+NH4]+ 323.117223 185.9
[M+K]+ 344.046558 169.4
[M+H-H2O]+ 288.080660 166.5
[M+HCOO]- 350.081601 187.2
[M+CH3COO]- 364.097251 196.1
[M+Na-2H]- 326.058066 171.4
[M]+ 305.08285142 171.4
[M]- 305.08394858 171.4
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.