CID 44152707

Diazenecarbothioic acid, (1,1'-biphenyl)-4-yl-, 2-(1,1'-biphenyl)-4-ylhydrazide

Structural Information

Molecular Formula
C25H20N4S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NNC(=S)N=NC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N4S/c30-25(28-26-23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-27-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,28,30)
InChIKey
KZNZHFDXOZCULX-UHFFFAOYSA-N
Compound name
1-(4-phenylanilino)-3-(4-phenylphenyl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14087 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14815 195.6
[M+Na]+ 431.13009 200.4
[M-H]- 407.13359 209.7
[M+NH4]+ 426.17469 205.7
[M+K]+ 447.10403 192.7
[M+H-H2O]+ 391.13813 183.9
[M+HCOO]- 453.13907 219.9
[M+CH3COO]- 467.15472 205.0
[M+Na-2H]- 429.11554 201.5
[M]+ 408.14032 194.8
[M]- 408.14142 194.8
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.