CID 4201092

6335-93-9

Structural Information

Molecular Formula
C17H14N2S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14N2S/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)
InChIKey
IPJJRJZXOAMHLE-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

278.08777 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09505 160.9
[M+Na]+ 301.07699 175.2
[M+NH4]+ 296.12159 171.3
[M+K]+ 317.05093 164.0
[M-H]- 277.08049 168.3
[M+Na-2H]- 299.06244 171.6
[M]+ 278.08722 165.6
[M]- 278.08832 165.6
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