CID 9574869

Imidazo[2,1-b]thiazole-3-acetic acid, 6-phenyl-, [(1e)-(4-nitrophenyl)methylene]hydrazide

Structural Information

Molecular Formula
C20H15N5O3S
SMILES
C1=CC=C(C=C1)C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H15N5O3S/c26-19(23-21-11-14-6-8-16(9-7-14)25(27)28)10-17-13-29-20-22-18(12-24(17)20)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,23,26)/b21-11+
InChIKey
YDWPEYWVUVOLHI-SRZZPIQSSA-N
Compound name
N-[(E)-(4-nitrophenyl)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

405.08957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09685 191.7
[M+Na]+ 428.07879 198.1
[M-H]- 404.08229 202.4
[M+NH4]+ 423.12339 203.4
[M+K]+ 444.05273 188.7
[M+H-H2O]+ 388.08683 186.5
[M+HCOO]- 450.08777 214.3
[M+CH3COO]- 464.10342 219.0
[M+Na-2H]- 426.06424 196.6
[M]+ 405.08902 194.2
[M]- 405.09012 194.2
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.