CID 9575415

4-[(e)-[[2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetyl]hydrazono]methyl]benzoic acid

Structural Information

Molecular Formula
C21H16N4O3S
SMILES
C1=CC=C(C=C1)C2=CN3C(=CSC3=N2)CC(=O)N/N=C/C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H16N4O3S/c26-19(24-22-11-14-6-8-16(9-7-14)20(27)28)10-17-13-29-21-23-18(12-25(17)21)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,24,26)(H,27,28)/b22-11+
InChIKey
NLRHHFCBGMKAEV-SSDVNMTOSA-N
Compound name
4-[(E)-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]hydrazinylidene]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.0943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10158 193.5
[M+Na]+ 427.08352 201.8
[M-H]- 403.08702 203.2
[M+NH4]+ 422.12812 206.0
[M+K]+ 443.05746 196.1
[M+H-H2O]+ 387.09156 185.0
[M+HCOO]- 449.09250 213.5
[M+CH3COO]- 463.10815 203.8
[M+Na-2H]- 425.06897 194.2
[M]+ 404.09375 198.7
[M]- 404.09485 198.7
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.