CID 728320

1-(2-cyanophenyl)-3-phenylurea

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C#N
InChI
InChI=1S/C14H11N3O/c15-10-11-6-4-5-9-13(11)17-14(18)16-12-7-2-1-3-8-12/h1-9H,(H2,16,17,18)
InChIKey
WJBBZNVIKICMHI-UHFFFAOYSA-N
Compound name
1-(2-cyanophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

237.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 160.2
[M+Na]+ 260.07943 168.4
[M-H]- 236.08293 165.2
[M+NH4]+ 255.12403 174.8
[M+K]+ 276.05337 163.2
[M+H-H2O]+ 220.08747 145.8
[M+HCOO]- 282.08841 181.7
[M+CH3COO]- 296.10406 205.8
[M+Na-2H]- 258.06488 165.5
[M]+ 237.08966 152.8
[M]- 237.09076 152.8
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

No patent data available for this compound.