CID 3064436

C 2052

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCN(CC)CCC(=O)N(CC)C(C)COC1=CC=CC=C1
InChI
InChI=1S/C18H30N2O2/c1-5-19(6-2)14-13-18(21)20(7-3)16(4)15-22-17-11-9-8-10-12-17/h8-12,16H,5-7,13-15H2,1-4H3
InChIKey
ISCNTACJVISDDO-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-ethyl-N-(1-phenoxypropan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 180.5
[M+Na]+ 329.219958 182.3
[M-H]- 305.223464 185.3
[M+NH4]+ 324.264563 195.6
[M+K]+ 345.193898 182.4
[M+H-H2O]+ 289.228000 171.7
[M+HCOO]- 351.228941 203.6
[M+CH3COO]- 365.244591 219.3
[M+Na-2H]- 327.205406 180.3
[M]+ 306.23019142 185.4
[M]- 306.23128858 185.4
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.