CID 9574936

Bis-(4-.beta.-chloroethoxybenzal)dithiosalicylhydrazide

Structural Information

Molecular Formula
C32H28Cl2N4O4S2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N/N=C/C4=CC=CC=C4OCCCl)OCCCl
InChI
InChI=1S/C32H28Cl2N4O4S2/c33-17-19-41-27-13-5-1-9-23(27)21-35-37-31(39)25-11-3-7-15-29(25)43-44-30-16-8-4-12-26(30)32(40)38-36-22-24-10-2-6-14-28(24)42-20-18-34/h1-16,21-22H,17-20H2,(H,37,39)(H,38,40)/b35-21+,36-22+
InChIKey
XNVIEFDTVGZDMD-JTOYJDTJSA-N
Compound name
N-[(E)-[2-(2-chloroethoxy)phenyl]methylideneamino]-2-[[2-[[(E)-[2-(2-chloroethoxy)phenyl]methylideneamino]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.0929 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.10018 249.5
[M+Na]+ 689.08212 252.2
[M-H]- 665.08562 261.3
[M+NH4]+ 684.12672 251.0
[M+K]+ 705.05606 243.5
[M+H-H2O]+ 649.09016 238.7
[M+HCOO]- 711.09110 257.1
[M+CH3COO]- 725.10675 272.5
[M+Na-2H]- 687.06757 250.4
[M]+ 666.09235 259.7
[M]- 666.09345 259.7
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.