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]+ 235.180496 158.3
[M+Na]+ 257.162438 163.3
[M-H]- 233.165944 161.9
[M+NH4]+ 252.207043 175.9
[M+K]+ 273.136378 161.7
[M+H-H2O]+ 217.170480 151.6
[M+HCOO]- 279.171421 180.6
[M+CH3COO]- 293.187071 201.1
[M+Na-2H]- 255.147886 159.1
[M]+ 234.17267142 157.9
[M]- 234.17376858 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.