CID 9574935

Bis-(2-methoxybenzal)-5,5'-dichlorodithiosalicylhydrazide

Structural Information

Molecular Formula
C30H24Cl2N4O4S2
SMILES
COC1=CC=CC=C1/C=N/NC(=O)C2=C(C=CC(=C2)Cl)SSC3=C(C=C(C=C3)Cl)C(=O)N/N=C/C4=CC=CC=C4OC
InChI
InChI=1S/C30H24Cl2N4O4S2/c1-39-25-9-5-3-7-19(25)17-33-35-29(37)23-15-21(31)11-13-27(23)41-42-28-14-12-22(32)16-24(28)30(38)36-34-18-20-8-4-6-10-26(20)40-2/h3-18H,1-2H3,(H,35,37)(H,36,38)/b33-17+,34-18+
InChIKey
XWQAZZFGBWKGFV-WMFSDKRHSA-N
Compound name
5-chloro-2-[[4-chloro-2-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]disulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.0616 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.06888 245.1
[M+Na]+ 661.05082 250.0
[M-H]- 637.05432 258.0
[M+NH4]+ 656.09542 248.1
[M+K]+ 677.02476 241.9
[M+H-H2O]+ 621.05886 234.8
[M+HCOO]- 683.05980 253.0
[M+CH3COO]- 697.07545 269.8
[M+Na-2H]- 659.03627 245.2
[M]+ 638.06105 255.5
[M]- 638.06215 255.5
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.