CID 39238

Daimuron

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)
InChIKey
NNYRZQHKCHEXSD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

20990
Patents

268.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 165.7
[M+Na]+ 291.14678 177.8
[M+NH4]+ 286.19138 173.7
[M+K]+ 307.12072 170.8
[M-H]- 267.15028 170.7
[M+Na-2H]- 289.13223 174.8
[M]+ 268.15701 168.9
[M]- 268.15811 168.9
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

patents stripe