CID 4056614

74548-62-2

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(CO)(CO)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)
InChIKey
NLGYHTMGWVQQIL-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.0
[M+Na]+ 247.105308 154.3
[M-H]- 223.108814 150.6
[M+NH4]+ 242.149913 166.0
[M+K]+ 263.079248 152.1
[M+H-H2O]+ 207.113350 143.8
[M+HCOO]- 269.114291 171.2
[M+CH3COO]- 283.129941 187.5
[M+Na-2H]- 245.090756 156.3
[M]+ 224.11554142 147.6
[M]- 224.11663858 147.6
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

No patent data available for this compound.