CID 4116752

1-benzyl-3-(2,6-diethylphenyl)urea

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O/c1-3-15-11-8-12-16(4-2)17(15)20-18(21)19-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,19,20,21)
InChIKey
XUMMSLQHZKYAMD-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,6-diethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 170.3
[M+Na]+ 305.16244 182.9
[M+NH4]+ 300.20704 178.3
[M+K]+ 321.13638 174.5
[M-H]- 281.16594 175.9
[M+Na-2H]- 303.14789 178.9
[M]+ 282.17267 173.6
[M]- 282.17377 173.6
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

No patent data available for this compound.