CID 302843

3-(3-aminophenyl)-1-phenylurea

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C13H13N3O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,14H2,(H2,15,16,17)
InChIKey
HEPNAISIYKJLIZ-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

227.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.2
[M+Na]+ 250.09509 154.7
[M-H]- 226.09859 155.5
[M+NH4]+ 245.13969 165.8
[M+K]+ 266.06903 151.1
[M+H-H2O]+ 210.10313 141.2
[M+HCOO]- 272.10407 175.8
[M+CH3COO]- 286.11972 195.3
[M+Na-2H]- 248.08054 156.1
[M]+ 227.10532 145.2
[M]- 227.10642 145.2
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