CID 3055736

Urea, 1-(p-benzoylphenyl)-2-thio-

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C14H12N2OS/c15-14(18)16-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9H,(H3,15,16,18)
InChIKey
KSOPHWIOASUPGM-UHFFFAOYSA-N
Compound name
(4-benzoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06705 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.074326 156.7
[M+Na]+ 279.056268 162.8
[M-H]- 255.059774 162.9
[M+NH4]+ 274.100873 172.8
[M+K]+ 295.030208 157.6
[M+H-H2O]+ 239.064310 149.1
[M+HCOO]- 301.065251 175.7
[M+CH3COO]- 315.080901 197.6
[M+Na-2H]- 277.041716 158.8
[M]+ 256.06650142 154.7
[M]- 256.06759858 154.7
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.