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 152.1
[M+Na]+ 267.07402 158.3
[M-H]- 243.07752 156.6
[M+NH4]+ 262.11862 167.4
[M+K]+ 283.04796 154.6
[M+H-H2O]+ 227.08206 144.7
[M+HCOO]- 289.08300 175.7
[M+CH3COO]- 303.09865 191.6
[M+Na-2H]- 265.05947 158.0
[M]+ 244.08425 149.3
[M]- 244.08535 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