CID 728148

4921-82-8

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKey
GVHZQIIMGRLFMX-UHFFFAOYSA-N
Compound name
N-(phenylcarbamothioyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

90
Patents

256.06705 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 156.6
[M+Na]+ 279.05627 168.3
[M+NH4]+ 274.10087 165.1
[M+K]+ 295.03021 159.3
[M-H]- 255.05977 161.9
[M+Na-2H]- 277.04172 165.7
[M]+ 256.06650 160.1
[M]- 256.06760 160.1
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