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]+ 315.170336 175.8
[M+Na]+ 337.152278 177.8
[M-H]- 313.155784 181.5
[M+NH4]+ 332.196883 188.6
[M+K]+ 353.126218 176.3
[M+H-H2O]+ 297.160320 166.8
[M+HCOO]- 359.161261 197.6
[M+CH3COO]- 373.176911 211.5
[M+Na-2H]- 335.137726 177.6
[M]+ 314.16251142 175.7
[M]- 314.16360858 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.