CID 3066725

Thiourea, n-(2-benzoyl-4-chlorophenyl)-n'-(4-bromophenyl)-

Structural Information

Molecular Formula
C20H14BrClN2OS
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H14BrClN2OS/c21-14-6-9-16(10-7-14)23-20(26)24-18-11-8-15(22)12-17(18)19(25)13-4-2-1-3-5-13/h1-12H,(H2,23,24,26)
InChIKey
YKWJWNCVZYWSCE-UHFFFAOYSA-N
Compound name
1-(2-benzoyl-4-chlorophenyl)-3-(4-bromophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.96988 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97716 178.8
[M+Na]+ 466.95910 184.5
[M+NH4]+ 462.00370 184.1
[M+K]+ 482.93304 180.5
[M-H]- 442.96260 184.5
[M+Na-2H]- 464.94455 186.6
[M]+ 443.96933 180.9
[M]- 443.97043 180.9
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.