CID 3040319

52030-18-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 171.9
[M+Na]+ 299.20937 180.5
[M+NH4]+ 294.25397 178.5
[M+K]+ 315.18331 174.3
[M-H]- 275.21287 174.1
[M+Na-2H]- 297.19482 175.9
[M]+ 276.21960 173.4
[M]- 276.22070 173.4
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.