CID 302854

501008-89-5

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]+ 270.069576 156.0
[M+Na]+ 292.051518 165.0
[M-H]- 268.055024 163.2
[M+NH4]+ 287.096123 173.9
[M+K]+ 308.025458 159.8
[M+H-H2O]+ 252.059560 148.5
[M+HCOO]- 314.060501 177.7
[M+CH3COO]- 328.076151 168.7
[M+Na-2H]- 290.036966 162.4
[M]+ 269.06175142 158.2
[M]- 269.06284858 158.2
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

No patent data available for this compound.