CID 16227435

(4-cyanophenyl)urea

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC(=CC=C1C#N)NC(=O)N
InChI
InChI=1S/C8H7N3O/c9-5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,(H3,10,11,12)
InChIKey
YLFRZTMXDWOXIO-UHFFFAOYSA-N
Compound name
(4-cyanophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

643
Patents

161.05891 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 138.4
[M+Na]+ 184.04813 148.5
[M+NH4]+ 179.09273 142.6
[M+K]+ 200.02207 140.1
[M-H]- 160.05163 133.4
[M+Na-2H]- 182.03358 141.9
[M]+ 161.05836 137.3
[M]- 161.05946 137.3
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