CID 205360

Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCCCNC(=O)NC(CC1=CC=CC=C1)CO
InChI
InChI=1S/C14H22N2O2/c1-2-3-9-15-14(18)16-13(11-17)10-12-7-5-4-6-8-12/h4-8,13,17H,2-3,9-11H2,1H3,(H2,15,16,18)
InChIKey
HKQKJGIYJQTRPR-UHFFFAOYSA-N
Compound name
1-butyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.5
[M+Na]+ 273.15734 164.3
[M-H]- 249.16084 162.7
[M+NH4]+ 268.20194 177.0
[M+K]+ 289.13128 161.7
[M+H-H2O]+ 233.16538 154.0
[M+HCOO]- 295.16632 183.5
[M+CH3COO]- 309.18197 197.3
[M+Na-2H]- 271.14279 164.5
[M]+ 250.16757 160.4
[M]- 250.16867 160.4
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.