CID 4432275

1-(5-hydroxynaphthalen-1-yl)-3-phenylurea

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CC=C3O
InChI
InChI=1S/C17H14N2O2/c20-16-11-5-8-13-14(16)9-4-10-15(13)19-17(21)18-12-6-2-1-3-7-12/h1-11,20H,(H2,18,19,21)
InChIKey
NXYDTUKYVRCOMN-UHFFFAOYSA-N
Compound name
1-(5-hydroxynaphthalen-1-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

278.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.9
[M+Na]+ 301.09475 177.7
[M+NH4]+ 296.13935 172.5
[M+K]+ 317.06869 169.8
[M-H]- 277.09825 169.8
[M+Na-2H]- 299.08020 173.2
[M]+ 278.10498 167.5
[M]- 278.10608 167.5
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