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]+ 209.128466 147.9
[M+Na]+ 231.110408 152.0
[M-H]- 207.113914 149.7
[M+NH4]+ 226.155013 165.1
[M+K]+ 247.084348 150.1
[M+H-H2O]+ 191.118450 141.1
[M+HCOO]- 253.119391 171.0
[M+CH3COO]- 267.135041 188.3
[M+Na-2H]- 229.095856 152.5
[M]+ 208.12064142 145.8
[M]- 208.12173858 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.