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]+ 326.095776 173.8
[M+Na]+ 348.077718 180.3
[M-H]- 324.081224 183.4
[M+NH4]+ 343.122323 188.5
[M+K]+ 364.051658 174.7
[M+H-H2O]+ 308.085760 164.5
[M+HCOO]- 370.086701 194.9
[M+CH3COO]- 384.102351 184.8
[M+Na-2H]- 346.063166 175.8
[M]+ 325.08795142 174.0
[M]- 325.08904858 174.0
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.