CID 135421221

4-(benzyloxy)benzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
C1C(=O)N/C(=N\N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)/S1
InChI
InChI=1S/C17H15N3O2S/c21-16-12-23-17(19-16)20-18-10-13-6-8-15(9-7-13)22-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,19,20,21)/b18-10+
InChIKey
GZRIHUABPOYAHW-VCHYOVAHSA-N
Compound name
(2E)-2-[(E)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0885 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 174.8
[M+Na]+ 348.07772 186.4
[M+NH4]+ 343.12232 182.6
[M+K]+ 364.05166 178.1
[M-H]- 324.08122 181.0
[M+Na-2H]- 346.06317 183.5
[M]+ 325.08795 178.4
[M]- 325.08905 178.4
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.

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No patent data available for this compound.