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]+ 238.097486 160.2
[M+Na]+ 260.079428 168.4
[M-H]- 236.082934 165.2
[M+NH4]+ 255.124033 174.8
[M+K]+ 276.053368 163.2
[M+H-H2O]+ 220.087470 145.8
[M+HCOO]- 282.088411 181.7
[M+CH3COO]- 296.104061 205.8
[M+Na-2H]- 258.064876 165.5
[M]+ 237.08966142 152.8
[M]- 237.09075858 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.