CID 53840

77944-91-3

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CN(C)C(COC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C18H22N2O3/c1-20(2)16(17(21)14-9-5-3-6-10-14)13-23-18(22)19-15-11-7-4-8-12-15/h3-12,16-17,21H,13H2,1-2H3,(H,19,22)
InChIKey
PIBDNVHDXOALIE-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-3-hydroxy-3-phenylpropyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 176.0
[M+Na]+ 337.15228 185.7
[M+NH4]+ 332.19688 182.3
[M+K]+ 353.12622 180.5
[M-H]- 313.15578 179.8
[M+Na-2H]- 335.13773 183.0
[M]+ 314.16251 178.1
[M]- 314.16361 178.1
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.