CID 9574875

Imidazo[2,1-b]thiazole-3-acetic acid, 6-phenyl-, [(1e,2e)-3-(5-nitro-2-furanyl)-2-propenylidene]hydrazide

Structural Information

Molecular Formula
C20H15N5O4S
SMILES
C1=CC=C(C=C1)C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C=C/C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C20H15N5O4S/c26-18(23-21-10-4-7-16-8-9-19(29-16)25(27)28)11-15-13-30-20-22-17(12-24(15)20)14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)/b7-4+,21-10+
InChIKey
OTUHNVMGBNHNSE-XREZVLSMSA-N
Compound name
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.08447 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09175 198.7
[M+Na]+ 444.07369 206.2
[M-H]- 420.07719 211.3
[M+NH4]+ 439.11829 210.6
[M+K]+ 460.04763 198.5
[M+H-H2O]+ 404.08173 195.0
[M+HCOO]- 466.08267 223.1
[M+CH3COO]- 480.09832 219.7
[M+Na-2H]- 442.05914 202.3
[M]+ 421.08392 204.6
[M]- 421.08502 204.6
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.