CID 880547

4921-85-1

Structural Information

Molecular Formula
C18H14N2OS
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H14N2OS/c21-17(14-7-2-1-3-8-14)20-18(22)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H2,19,20,21,22)
InChIKey
PVLDWMHPPWASEB-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylcarbamothioyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

306.08267 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08995 168.0
[M+Na]+ 329.07189 181.3
[M+NH4]+ 324.11649 177.2
[M+K]+ 345.04583 171.1
[M-H]- 305.07539 174.4
[M+Na-2H]- 327.05734 177.6
[M]+ 306.08212 172.2
[M]- 306.08322 172.2
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

patents stripe