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]+ 283.180496 168.7
[M+Na]+ 305.162438 173.9
[M-H]- 281.165944 175.1
[M+NH4]+ 300.207043 184.0
[M+K]+ 321.136378 169.4
[M+H-H2O]+ 265.170480 160.3
[M+HCOO]- 327.171421 193.3
[M+CH3COO]- 341.187071 206.9
[M+Na-2H]- 303.147886 172.7
[M]+ 282.17267142 168.5
[M]- 282.17376858 168.5
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.