CID 282872

1-(2-methylpropyl)-3-phenylurea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)CNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13,14)
InChIKey
IKHKMGSVONNVKU-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 145.1
[M+Na]+ 215.11549 155.0
[M+NH4]+ 210.16009 152.9
[M+K]+ 231.08943 149.2
[M-H]- 191.11899 147.7
[M+Na-2H]- 213.10094 151.3
[M]+ 192.12572 147.0
[M]- 192.12682 147.0
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