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 175.8
[M+Na]+ 337.15228 177.8
[M-H]- 313.15578 181.5
[M+NH4]+ 332.19688 188.6
[M+K]+ 353.12622 176.3
[M+H-H2O]+ 297.16032 166.8
[M+HCOO]- 359.16126 197.6
[M+CH3COO]- 373.17691 211.5
[M+Na-2H]- 335.13773 177.6
[M]+ 314.16251 175.7
[M]- 314.16361 175.7
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.