CID 233601

1-(4-nitrophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h1-9H,(H2,14,15,17)
InChIKey
QHHPMKKJBURYIQ-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

257.08005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 155.1
[M+Na]+ 280.06927 167.8
[M+NH4]+ 275.11387 162.7
[M+K]+ 296.04321 164.0
[M-H]- 256.07277 161.2
[M+Na-2H]- 278.05472 164.0
[M]+ 257.07950 158.3
[M]- 257.08060 158.3
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