CID 208999

19071-54-6

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
2
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]+ 271.144116 162.7
[M+Na]+ 293.126058 166.0
[M-H]- 269.129564 167.3
[M+NH4]+ 288.170663 176.9
[M+K]+ 309.099998 162.2
[M+H-H2O]+ 253.134100 154.4
[M+HCOO]- 315.135041 185.6
[M+CH3COO]- 329.150691 199.2
[M+Na-2H]- 291.111506 167.7
[M]+ 270.13629142 159.9
[M]- 270.13738858 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.