CID 3311942

1,1-dipropyl-3-(2,4-xylyl)urea

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCN(CCC)C(=O)NC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C15H24N2O/c1-5-9-17(10-6-2)15(18)16-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKey
MRQMPEAFTOYAQN-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.18886 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 162.2
[M+Na]+ 271.178078 167.5
[M-H]- 247.181584 167.0
[M+NH4]+ 266.222683 180.1
[M+K]+ 287.152018 166.0
[M+H-H2O]+ 231.186120 155.0
[M+HCOO]- 293.187061 186.8
[M+CH3COO]- 307.202711 205.7
[M+Na-2H]- 269.163526 164.3
[M]+ 248.18831142 164.8
[M]- 248.18940858 164.8
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.