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]+ 280.19072 168.0
[M+Na]+ 302.17266 173.4
[M-H]- 278.17616 172.4
[M+NH4]+ 297.21726 184.6
[M+K]+ 318.14660 172.7
[M+H-H2O]+ 262.18070 160.4
[M+HCOO]- 324.18164 191.6
[M+CH3COO]- 338.19729 209.1
[M+Na-2H]- 300.15811 169.3
[M]+ 279.18289 174.7
[M]- 279.18399 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.