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]+ 249.19614 162.2
[M+Na]+ 271.17808 167.5
[M-H]- 247.18158 167.0
[M+NH4]+ 266.22268 180.1
[M+K]+ 287.15202 166.0
[M+H-H2O]+ 231.18612 155.0
[M+HCOO]- 293.18706 186.8
[M+CH3COO]- 307.20271 205.7
[M+Na-2H]- 269.16353 164.3
[M]+ 248.18831 164.8
[M]- 248.18941 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.