CID 1471602

Urea, 1-(2-biphenylyl)-2-thio-

Structural Information

Molecular Formula
C13H12N2S
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)N
InChI
InChI=1S/C13H12N2S/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15,16)
InChIKey
PFLVOXHSAWFMOW-UHFFFAOYSA-N
Compound name
(2-phenylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

228.07211 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.079386 148.7
[M+Na]+ 251.061328 155.5
[M-H]- 227.064834 155.0
[M+NH4]+ 246.105933 166.3
[M+K]+ 267.035268 150.0
[M+H-H2O]+ 211.069370 141.5
[M+HCOO]- 273.070311 168.8
[M+CH3COO]- 287.085961 160.8
[M+Na-2H]- 249.046776 152.5
[M]+ 228.07156142 146.3
[M]- 228.07265858 146.3
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

patents stripe