CID 53839

77944-90-2

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCN(CC)C(COC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)OC
InChI
InChI=1S/C21H28N2O3/c1-4-23(5-2)19(20(25-3)17-12-8-6-9-13-17)16-26-21(24)22-18-14-10-7-11-15-18/h6-15,19-20H,4-5,16H2,1-3H3,(H,22,24)
InChIKey
JKDSOFUTHPCORU-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-3-methoxy-3-phenylpropyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 189.7
[M+Na]+ 379.199218 190.8
[M-H]- 355.202724 196.2
[M+NH4]+ 374.243823 201.5
[M+K]+ 395.173158 189.5
[M+H-H2O]+ 339.207260 179.8
[M+HCOO]- 401.208201 212.0
[M+CH3COO]- 415.223851 222.7
[M+Na-2H]- 377.184666 190.4
[M]+ 356.20945142 192.5
[M]- 356.21054858 192.5
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.