CID 3034143

1,1-diphenyl-2-thiourea

Structural Information

Molecular Formula
C13H12N2S
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N
InChI
InChI=1S/C13H12N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChIKey
FPZXQVCYHDMIIA-UHFFFAOYSA-N
Compound name
1,1-diphenylthiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

4897
Patents

228.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.079386 149.4
[M+Na]+ 251.061328 155.4
[M-H]- 227.064834 156.9
[M+NH4]+ 246.105933 167.3
[M+K]+ 267.035268 151.4
[M+H-H2O]+ 211.069370 141.7
[M+HCOO]- 273.070311 170.0
[M+CH3COO]- 287.085961 194.6
[M+Na-2H]- 249.046776 153.1
[M]+ 228.07156142 147.8
[M]- 228.07265858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe