CID 282872

1-isobutyl-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 144.7
[M+Na]+ 215.11549 149.4
[M-H]- 191.11899 148.0
[M+NH4]+ 210.16009 163.5
[M+K]+ 231.08943 147.8
[M+H-H2O]+ 175.12353 138.0
[M+HCOO]- 237.12447 169.1
[M+CH3COO]- 251.14012 188.6
[M+Na-2H]- 213.10094 149.9
[M]+ 192.12572 143.1
[M]- 192.12682 143.1
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