CID 4147923

1-ethyl-1-phenyl-3-(o-tolyl)urea

Structural Information

Molecular Formula
C16H18N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C16H18N2O/c1-3-18(14-10-5-4-6-11-14)16(19)17-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H,17,19)
InChIKey
UNCQWIVNSOQVRR-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-methylphenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.9
[M+Na]+ 277.131118 165.1
[M-H]- 253.134624 167.8
[M+NH4]+ 272.175723 176.7
[M+K]+ 293.105058 162.5
[M+H-H2O]+ 237.139160 151.5
[M+HCOO]- 299.140101 185.6
[M+CH3COO]- 313.155751 203.1
[M+Na-2H]- 275.116566 165.0
[M]+ 254.14135142 159.9
[M]- 254.14244858 159.9
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.