CID 9574874

N-[(e)-(5-nitro-2-furyl)methyleneamino]-2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetamide

Structural Information

Molecular Formula
C18H13N5O4S
SMILES
C1=CC=C(C=C1)C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C18H13N5O4S/c24-16(21-19-9-14-6-7-17(27-14)23(25)26)8-13-11-28-18-20-15(10-22(13)18)12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,21,24)/b19-9+
InChIKey
CEBSMPTUAIIJPU-DJKKODMXSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-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

395.06882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07610 189.3
[M+Na]+ 418.05804 197.3
[M-H]- 394.06154 202.1
[M+NH4]+ 413.10264 202.2
[M+K]+ 434.03198 190.5
[M+H-H2O]+ 378.06608 185.9
[M+HCOO]- 440.06702 214.2
[M+CH3COO]- 454.08267 215.4
[M+Na-2H]- 416.04349 193.9
[M]+ 395.06827 195.3
[M]- 395.06937 195.3
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.