CID 282878

1-phenyl-3-(2,6-xylyl)urea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
KQUIMGLCJSOHFO-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.0
[M+Na]+ 263.11549 161.5
[M-H]- 239.11899 162.0
[M+NH4]+ 258.16009 172.1
[M+K]+ 279.08943 157.8
[M+H-H2O]+ 223.12353 147.3
[M+HCOO]- 285.12447 180.6
[M+CH3COO]- 299.14012 197.9
[M+Na-2H]- 261.10094 160.7
[M]+ 240.12572 153.8
[M]- 240.12682 153.8
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.