CID 465375

2-[[2-(anilinocarbamoyl)phenyl]disulfanyl]-n'-phenyl-benzohydrazide

Structural Information

Molecular Formula
C26H22N4O2S2
SMILES
C1=CC=C(C=C1)NNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NNC4=CC=CC=C4
InChI
InChI=1S/C26H22N4O2S2/c31-25(29-27-19-11-3-1-4-12-19)21-15-7-9-17-23(21)33-34-24-18-10-8-16-22(24)26(32)30-28-20-13-5-2-6-14-20/h1-18,27-28H,(H,29,31)(H,30,32)
InChIKey
UJZPYTNDRJKHEQ-UHFFFAOYSA-N
Compound name
2-[[2-(anilinocarbamoyl)phenyl]disulfanyl]-N'-phenylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.1184 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.12568 205.9
[M+Na]+ 509.10762 208.4
[M-H]- 485.11112 216.0
[M+NH4]+ 504.15222 211.3
[M+K]+ 525.08156 199.6
[M+H-H2O]+ 469.11566 195.1
[M+HCOO]- 531.11660 220.9
[M+CH3COO]- 545.13225 212.1
[M+Na-2H]- 507.09307 210.6
[M]+ 486.11785 204.9
[M]- 486.11895 204.9
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.