CID 471622

N'-[(2,4-dichlorophenyl)methyl]-2-[[2-[[(2,4-dichlorophenyl)methylamino]carbamoyl]phenyl]disulfanyl]benzohydrazide

Structural Information

Molecular Formula
C28H22Cl4N4O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NNCC2=C(C=C(C=C2)Cl)Cl)SSC3=CC=CC=C3C(=O)NNCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H22Cl4N4O2S2/c29-19-11-9-17(23(31)13-19)15-33-35-27(37)21-5-1-3-7-25(21)39-40-26-8-4-2-6-22(26)28(38)36-34-16-18-10-12-20(30)14-24(18)32/h1-14,33-34H,15-16H2,(H,35,37)(H,36,38)
InChIKey
AGNLTZHVGGTMCJ-UHFFFAOYSA-N
Compound name
N'-[(2,4-dichlorophenyl)methyl]-2-[[2-[[(2,4-dichlorophenyl)methylamino]carbamoyl]phenyl]disulfanyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.99384 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.00112 229.7
[M+Na]+ 672.98306 234.2
[M-H]- 648.98656 237.6
[M+NH4]+ 668.02766 232.3
[M+K]+ 688.95700 225.8
[M+H-H2O]+ 632.99110 223.5
[M+HCOO]- 694.99204 225.5
[M+CH3COO]- 709.00769 233.5
[M+Na-2H]- 670.96851 228.5
[M]+ 649.99329 236.0
[M]- 649.99439 236.0
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.