CID 303032

10141-46-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.