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]+ 255.14918 159.9
[M+Na]+ 277.13112 165.1
[M-H]- 253.13462 167.8
[M+NH4]+ 272.17572 176.7
[M+K]+ 293.10506 162.5
[M+H-H2O]+ 237.13916 151.5
[M+HCOO]- 299.14010 185.6
[M+CH3COO]- 313.15575 203.1
[M+Na-2H]- 275.11657 165.0
[M]+ 254.14135 159.9
[M]- 254.14245 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.