CID 4534661

1,1-diisopropyl-3-(p-tolyl)urea

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC1=CC=C(C=C1)NC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C14H22N2O/c1-10(2)16(11(3)4)14(17)15-13-8-6-12(5)7-9-13/h6-11H,1-5H3,(H,15,17)
InChIKey
CSCADZYLQVLRDL-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1,1-di(propan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.1
[M+Na]+ 257.16244 167.6
[M+NH4]+ 252.20704 165.5
[M+K]+ 273.13638 162.7
[M-H]- 233.16594 160.8
[M+Na-2H]- 255.14789 163.2
[M]+ 234.17267 159.9
[M]- 234.17377 159.9
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.