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]+ 409.148146 195.6
[M+Na]+ 431.130088 200.4
[M-H]- 407.133594 209.7
[M+NH4]+ 426.174693 205.7
[M+K]+ 447.104028 192.7
[M+H-H2O]+ 391.138130 183.9
[M+HCOO]- 453.139071 219.9
[M+CH3COO]- 467.154721 205.0
[M+Na-2H]- 429.115536 201.5
[M]+ 408.14032142 194.8
[M]- 408.14141858 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.