CID 4432275

124655-15-8

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: 5
Patents: 278.10553 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.112806	160.8
[M+Na]+	301.094748	167.2
[M-H]-	277.098254	167.2
[M+NH4]+	296.139353	176.3
[M+K]+	317.068688	162.2
[M+H-H2O]+	261.102790	152.8
[M+HCOO]-	323.103731	184.2
[M+CH3COO]-	337.119381	172.1
[M+Na-2H]-	299.080196	168.5
[M]+	278.10498142	158.7
[M]-	278.10607858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe