CID 3632739

1-(2,6-diethylphenyl)-3-phenylurea

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c1-3-13-9-8-10-14(4-2)16(13)19-17(20)18-15-11-6-5-7-12-15/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
InChIKey
FHPBCFLHEMHKNO-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.2
[M+Na]+ 291.14678 169.8
[M-H]- 267.15028 170.7
[M+NH4]+ 286.19138 180.1
[M+K]+ 307.12072 165.6
[M+H-H2O]+ 251.15482 156.0
[M+HCOO]- 313.15576 189.1
[M+CH3COO]- 327.17141 203.9
[M+Na-2H]- 289.13223 168.7
[M]+ 268.15701 163.6
[M]- 268.15811 163.6
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.