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 167.9
[M+Na]+ 329.07189 173.8
[M-H]- 305.07539 175.0
[M+NH4]+ 324.11649 183.2
[M+K]+ 345.04583 167.8
[M+H-H2O]+ 289.07993 159.9
[M+HCOO]- 351.08087 186.2
[M+CH3COO]- 365.09652 178.5
[M+Na-2H]- 327.05734 173.0
[M]+ 306.08212 167.1
[M]- 306.08322 167.1
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