CID 828128

Urea, 1-(1-naphthyl)-3-phenyl-2-thio-

Structural Information

Molecular Formula
C17H14N2S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H14N2S/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H2,18,19,20)
InChIKey
GYAYLPVAZFFNTR-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

278.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09505 159.6
[M+Na]+ 301.07699 166.2
[M-H]- 277.08049 166.8
[M+NH4]+ 296.12159 176.3
[M+K]+ 317.05093 159.7
[M+H-H2O]+ 261.08503 151.9
[M+HCOO]- 323.08597 179.0
[M+CH3COO]- 337.10162 170.9
[M+Na-2H]- 299.06244 166.2
[M]+ 278.08722 158.4
[M]- 278.08832 158.4
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