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]+ 306.09068 169.2
[M+Na]+ 328.07262 176.9
[M-H]- 304.07612 175.2
[M+NH4]+ 323.11722 185.9
[M+K]+ 344.04656 169.4
[M+H-H2O]+ 288.08066 166.5
[M+HCOO]- 350.08160 187.2
[M+CH3COO]- 364.09725 196.1
[M+Na-2H]- 326.05807 171.4
[M]+ 305.08285 171.4
[M]- 305.08395 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.