CID 4668208

1-(2,6-diisopropylphenyl)-3-methylurea

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC
InChI
InChI=1S/C14H22N2O/c1-9(2)11-7-6-8-12(10(3)4)13(11)16-14(17)15-5/h6-10H,1-5H3,(H2,15,16,17)
InChIKey
GQHMJQCLGYGDLS-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.3
[M+Na]+ 257.16244 163.3
[M-H]- 233.16594 161.9
[M+NH4]+ 252.20704 175.9
[M+K]+ 273.13638 161.7
[M+H-H2O]+ 217.17048 151.6
[M+HCOO]- 279.17142 180.6
[M+CH3COO]- 293.18707 201.1
[M+Na-2H]- 255.14789 159.1
[M]+ 234.17267 157.9
[M]- 234.17377 157.9
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.