CID 3064436

102128-91-6

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]+ 307.23802 180.5
[M+Na]+ 329.21996 182.3
[M-H]- 305.22346 185.3
[M+NH4]+ 324.26456 195.6
[M+K]+ 345.19390 182.4
[M+H-H2O]+ 289.22800 171.7
[M+HCOO]- 351.22894 203.6
[M+CH3COO]- 365.24459 219.3
[M+Na-2H]- 327.20541 180.3
[M]+ 306.23019 185.4
[M]- 306.23129 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.