CID 314311

6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C11H7N3O2S
SMILES
C1=CC(=CC=C1C2=CN3C=CSC3=N2)[N+](=O)[O-]
InChI
InChI=1S/C11H7N3O2S/c15-14(16)9-3-1-8(2-4-9)10-7-13-5-6-17-11(13)12-10/h1-7H
InChIKey
JLETUFGLJXMETA-UHFFFAOYSA-N
Compound name
6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

245.0259 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03318 150.1
[M+Na]+ 268.01512 160.8
[M-H]- 244.01862 157.2
[M+NH4]+ 263.05972 169.4
[M+K]+ 283.98906 153.0
[M+H-H2O]+ 228.02316 147.8
[M+HCOO]- 290.02410 171.9
[M+CH3COO]- 304.03975 183.6
[M+Na-2H]- 266.00057 155.8
[M]+ 245.02535 152.5
[M]- 245.02645 152.5
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

patents stripe