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]+ 241.133546 155.0
[M+Na]+ 263.115488 161.5
[M-H]- 239.118994 162.0
[M+NH4]+ 258.160093 172.1
[M+K]+ 279.089428 157.8
[M+H-H2O]+ 223.123530 147.3
[M+HCOO]- 285.124471 180.6
[M+CH3COO]- 299.140121 197.9
[M+Na-2H]- 261.100936 160.7
[M]+ 240.12572142 153.8
[M]- 240.12681858 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.