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]+ 257.07433 156.7
[M+Na]+ 279.05627 162.8
[M-H]- 255.05977 162.9
[M+NH4]+ 274.10087 172.8
[M+K]+ 295.03021 157.6
[M+H-H2O]+ 239.06431 149.1
[M+HCOO]- 301.06525 175.7
[M+CH3COO]- 315.08090 197.6
[M+Na-2H]- 277.04172 158.8
[M]+ 256.06650 154.7
[M]- 256.06760 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.