CID 3042675

Rap 413

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCN(CC)CCCOC1=CC=CC=C1OCC(C)C
InChI
InChI=1S/C17H29NO2/c1-5-18(6-2)12-9-13-19-16-10-7-8-11-17(16)20-14-15(3)4/h7-8,10-11,15H,5-6,9,12-14H2,1-4H3
InChIKey
NQTUEEJBIIYOMY-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-[2-(2-methylpropoxy)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

279.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 171.9
[M+Na]+ 302.20904 175.7
[M-H]- 278.21254 175.8
[M+NH4]+ 297.25364 188.4
[M+K]+ 318.18298 174.7
[M+H-H2O]+ 262.21708 164.0
[M+HCOO]- 324.21802 194.7
[M+CH3COO]- 338.23367 209.7
[M+Na-2H]- 300.19449 173.3
[M]+ 279.21927 177.8
[M]- 279.22037 177.8
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

patents stripe