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

15
Patents

244.0848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.092076 152.1
[M+Na]+ 267.074018 158.3
[M-H]- 243.077524 156.6
[M+NH4]+ 262.118623 167.4
[M+K]+ 283.047958 154.6
[M+H-H2O]+ 227.082060 144.7
[M+HCOO]- 289.083001 175.7
[M+CH3COO]- 303.098651 191.6
[M+Na-2H]- 265.059466 158.0
[M]+ 244.08425142 149.3
[M]- 244.08534858 149.3
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