CID 208999

1-(alpha-(hydroxymethyl)phenethyl)-3-phenylurea

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1=CC=C(C=C1)CC(CO)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c19-12-15(11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18,20)
InChIKey
XIWZYXYULUDTSB-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.7
[M+Na]+ 293.12606 166.0
[M-H]- 269.12956 167.3
[M+NH4]+ 288.17066 176.9
[M+K]+ 309.10000 162.2
[M+H-H2O]+ 253.13410 154.4
[M+HCOO]- 315.13504 185.6
[M+CH3COO]- 329.15069 199.2
[M+Na-2H]- 291.11151 167.7
[M]+ 270.13629 159.9
[M]- 270.13739 159.9
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.