CID 78227

1-ethyl-3-methyldiphenylurea

Structural Information

Molecular Formula
C16H18N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c1-3-18(15-12-8-5-9-13-15)16(19)17(2)14-10-6-4-7-11-14/h4-13H,3H2,1-2H3
InChIKey
FOHIURCGHCHRHW-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

254.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 160.3
[M+Na]+ 277.131118 164.6
[M-H]- 253.134624 169.2
[M+NH4]+ 272.175723 177.3
[M+K]+ 293.105058 163.4
[M+H-H2O]+ 237.139160 151.5
[M+HCOO]- 299.140101 186.5
[M+CH3COO]- 313.155751 205.4
[M+Na-2H]- 275.116566 165.2
[M]+ 254.14135142 161.1
[M]- 254.14244858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe