CID 3034180

Usaf k-1450

Structural Information

Molecular Formula
C20H16N2OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16N2OS/c23-19(17-9-5-2-6-10-17)22-20(24)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H2,21,22,23,24)
InChIKey
XVAQOLJMMPBKGC-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

332.09833 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10561 177.2
[M+Na]+ 355.08755 182.2
[M-H]- 331.09105 186.4
[M+NH4]+ 350.13215 190.0
[M+K]+ 371.06149 175.6
[M+H-H2O]+ 315.09559 168.1
[M+HCOO]- 377.09653 196.4
[M+CH3COO]- 391.11218 187.1
[M+Na-2H]- 353.07300 180.3
[M]+ 332.09778 175.5
[M]- 332.09888 175.5
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

No patent data available for this compound.