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]+ 270.06958 156.0
[M+Na]+ 292.05152 165.0
[M-H]- 268.05502 163.2
[M+NH4]+ 287.09612 173.9
[M+K]+ 308.02546 159.8
[M+H-H2O]+ 252.05956 148.5
[M+HCOO]- 314.06050 177.7
[M+CH3COO]- 328.07615 168.7
[M+Na-2H]- 290.03697 162.4
[M]+ 269.06175 158.2
[M]- 269.06285 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.