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
4
Annotation Hits

7
References

22696
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 163.9
[M+Na]+ 291.14678 169.0
[M-H]- 267.15028 170.4
[M+NH4]+ 286.19138 179.6
[M+K]+ 307.12072 165.3
[M+H-H2O]+ 251.15482 156.1
[M+HCOO]- 313.15576 187.2
[M+CH3COO]- 327.17141 203.1
[M+Na-2H]- 289.13223 169.9
[M]+ 268.15701 162.5
[M]- 268.15811 162.5
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