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]+ 357.21728 189.7
[M+Na]+ 379.19922 190.8
[M-H]- 355.20272 196.2
[M+NH4]+ 374.24382 201.5
[M+K]+ 395.17316 189.5
[M+H-H2O]+ 339.20726 179.8
[M+HCOO]- 401.20820 212.0
[M+CH3COO]- 415.22385 222.7
[M+Na-2H]- 377.18467 190.4
[M]+ 356.20945 192.5
[M]- 356.21055 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.