CID 209981

20809-07-8

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCC(=O)C1=C(C=C(C=C1)OC)OCCN(CC)CC
InChI
InChI=1S/C16H25NO3/c1-5-15(18)14-9-8-13(19-4)12-16(14)20-11-10-17(6-2)7-3/h8-9,12H,5-7,10-11H2,1-4H3
InChIKey
PCTXJNYVGZVDQO-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 168.0
[M+Na]+ 302.172658 173.4
[M-H]- 278.176164 172.4
[M+NH4]+ 297.217263 184.6
[M+K]+ 318.146598 172.7
[M+H-H2O]+ 262.180700 160.4
[M+HCOO]- 324.181641 191.6
[M+CH3COO]- 338.197291 209.1
[M+Na-2H]- 300.158106 169.3
[M]+ 279.18289142 174.7
[M]- 279.18398858 174.7
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.