CID 3456501

1,1-dibutyl-3-(3,4-dimethylphenyl)urea

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCCCN(CCCC)C(=O)NC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C17H28N2O/c1-5-7-11-19(12-8-6-2)17(20)18-16-10-9-14(3)15(4)13-16/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20)
InChIKey
AIYSSRSKDGVHAF-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(3,4-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

276.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 171.1
[M+Na]+ 299.20937 181.1
[M+NH4]+ 294.25397 178.2
[M+K]+ 315.18331 173.9
[M-H]- 275.21287 174.1
[M+Na-2H]- 297.19482 175.9
[M]+ 276.21960 173.2
[M]- 276.22070 173.2
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

patents stripe