CID 3000725

1,3-bis(4-phenylphenyl)thiourea

Structural Information

Molecular Formula
C25H20N2S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N2S/c28-25(26-23-15-11-21(12-16-23)19-7-3-1-4-8-19)27-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H2,26,27,28)
InChIKey
LJFZYJGXVDSUCY-UHFFFAOYSA-N
Compound name
1,3-bis(4-phenylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1347 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14198 189.8
[M+Na]+ 403.12392 195.1
[M-H]- 379.12742 201.6
[M+NH4]+ 398.16852 200.5
[M+K]+ 419.09786 186.4
[M+H-H2O]+ 363.13196 179.4
[M+HCOO]- 425.13290 209.2
[M+CH3COO]- 439.14855 199.0
[M+Na-2H]- 401.10937 193.4
[M]+ 380.13415 187.5
[M]- 380.13525 187.5
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.