CID 92326

Methyldymron

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12237
Patents

268.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.9
[M+Na]+ 291.14678 168.1
[M-H]- 267.15028 171.4
[M+NH4]+ 286.19138 179.8
[M+K]+ 307.12072 165.8
[M+H-H2O]+ 251.15482 155.7
[M+HCOO]- 313.15576 187.6
[M+CH3COO]- 327.17141 205.3
[M+Na-2H]- 289.13223 169.9
[M]+ 268.15701 163.3
[M]- 268.15811 163.3
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