CID 9554211

H2bbptsc

Structural Information

Molecular Formula
C28H24N6S2
SMILES
C1=CC=C(C=C1)/C(=N\NC(=S)NC2=CC=CC=C2)/C(=N/NC(=S)NC3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C28H24N6S2/c35-27(29-23-17-9-3-10-18-23)33-31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-34-28(36)30-24-19-11-4-12-20-24/h1-20H,(H2,29,33,35)(H2,30,34,36)/b31-25+,32-26+
InChIKey
PPNUJBYQXJIQMK-YESHOFFLSA-N
Compound name
1-[(E)-[(2E)-1,2-diphenyl-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.1504 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15768 208.4
[M+Na]+ 531.13962 217.9
[M+NH4]+ 526.18422 215.3
[M+K]+ 547.11356 206.2
[M-H]- 507.14312 219.7
[M+Na-2H]- 529.12507 222.2
[M]+ 508.14985 213.5
[M]- 508.15095 213.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.