CID 3614600

3-(3-hydroxyphenyl)-1-phenylurea

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)O
InChI
InChI=1S/C13H12N2O2/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17)
InChIKey
YYUJEEGDLCZLSE-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

228.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 148.8
[M+Na]+ 251.07909 154.7
[M-H]- 227.08259 154.3
[M+NH4]+ 246.12369 165.2
[M+K]+ 267.05303 151.1
[M+H-H2O]+ 211.08713 141.3
[M+HCOO]- 273.08807 173.8
[M+CH3COO]- 287.10372 190.4
[M+Na-2H]- 249.06454 155.9
[M]+ 228.08932 146.0
[M]- 228.09042 146.0
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