CID 302854

1-(naphthalen-1-yl)-3-(thiazol-2-yl)urea

Structural Information

Molecular Formula
C14H11N3OS
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=NC=CS3
InChI
InChI=1S/C14H11N3OS/c18-13(17-14-15-8-9-19-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,15,16,17,18)
InChIKey
RMDBULSUOLAATP-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06958 156.7
[M+Na]+ 292.05152 169.9
[M+NH4]+ 287.09612 165.9
[M+K]+ 308.02546 162.1
[M-H]- 268.05502 162.2
[M+Na-2H]- 290.03697 166.1
[M]+ 269.06175 160.6
[M]- 269.06285 160.6
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

No patent data available for this compound.