CID 135645362

Benzaldehyde (5-(3,4-dichlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone

Structural Information

Molecular Formula
C17H13Cl2N3OS
SMILES
C1=CC=C(C=C1)/C=N/N=C/2\NC(=O)C(S2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3OS/c18-13-7-6-12(8-14(13)19)9-15-16(23)21-17(24-15)22-20-10-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+
InChIKey
RUOKZOYNUJFADU-KEBDBYFISA-N
Compound name
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.01562 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02290 188.2
[M+Na]+ 400.00484 197.4
[M-H]- 376.00834 197.4
[M+NH4]+ 395.04944 202.7
[M+K]+ 415.97878 188.8
[M+H-H2O]+ 360.01288 180.4
[M+HCOO]- 422.01382 199.0
[M+CH3COO]- 436.02947 198.4
[M+Na-2H]- 397.99029 186.8
[M]+ 377.01507 191.1
[M]- 377.01617 191.1
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.