CID 77350

N,n'-bis(3-hydroxyphenyl)urea

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC(=CC(=C1)O)NC(=O)NC2=CC(=CC=C2)O
InChI
InChI=1S/C13H12N2O3/c16-11-5-1-3-9(7-11)14-13(18)15-10-4-2-6-12(17)8-10/h1-8,16-17H,(H2,14,15,18)
InChIKey
AEJLRFPKZUWHEY-UHFFFAOYSA-N
Compound name
1,3-bis(3-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

244.0848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 154.5
[M+Na]+ 267.07402 166.0
[M+NH4]+ 262.11862 161.4
[M+K]+ 283.04796 160.5
[M-H]- 243.07752 158.2
[M+Na-2H]- 265.05947 162.2
[M]+ 244.08425 156.8
[M]- 244.08535 156.8
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

patents stripe