CID 3435174

86781-57-9

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C17H28N2O/c1-12(2)10-19(11-13(3)4)17(20)18-16-14(5)8-7-9-15(16)6/h7-9,12-13H,10-11H2,1-6H3,(H,18,20)
InChIKey
BBJKLEPTXSAVPQ-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylphenyl)-1,1-bis(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 171.2
[M+Na]+ 299.20937 180.5
[M+NH4]+ 294.25397 178.1
[M+K]+ 315.18331 175.0
[M-H]- 275.21287 173.8
[M+Na-2H]- 297.19482 175.3
[M]+ 276.21960 173.1
[M]- 276.22070 173.1
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

patents stripe