CID 187654

1-(1-hydroxybutan-2-yl)-3-phenylurea

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCC(CO)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O2/c1-2-9(8-14)12-11(15)13-10-6-4-3-5-7-10/h3-7,9,14H,2,8H2,1H3,(H2,12,13,15)
InChIKey
NACKZCSHWLBRRI-UHFFFAOYSA-N
Compound name
1-(1-hydroxybutan-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.9
[M+Na]+ 231.11041 152.0
[M-H]- 207.11391 149.7
[M+NH4]+ 226.15501 165.1
[M+K]+ 247.08435 150.1
[M+H-H2O]+ 191.11845 141.1
[M+HCOO]- 253.11939 171.0
[M+CH3COO]- 267.13504 188.3
[M+Na-2H]- 229.09586 152.5
[M]+ 208.12064 145.8
[M]- 208.12174 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.