CID 5277318

(3-phenylphenyl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

228.07211 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07939 148.7
[M+Na]+ 251.06133 155.5
[M-H]- 227.06483 155.0
[M+NH4]+ 246.10593 166.3
[M+K]+ 267.03527 150.0
[M+H-H2O]+ 211.06937 141.5
[M+HCOO]- 273.07031 168.8
[M+CH3COO]- 287.08596 160.8
[M+Na-2H]- 249.04678 152.5
[M]+ 228.07156 146.3
[M]- 228.07266 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