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 173.8
[M+Na]+ 348.07772 180.3
[M-H]- 324.08122 183.4
[M+NH4]+ 343.12232 188.5
[M+K]+ 364.05166 174.7
[M+H-H2O]+ 308.08576 164.5
[M+HCOO]- 370.08670 194.9
[M+CH3COO]- 384.10235 184.8
[M+Na-2H]- 346.06317 175.8
[M]+ 325.08795 174.0
[M]- 325.08905 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.