CID 209147

Brn 2137809

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCN(CC)CCC(=O)C1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C16H25NO4/c1-6-17(7-2)9-8-13(18)16-14(20-4)10-12(19-3)11-15(16)21-5/h10-11H,6-9H2,1-5H3
InChIKey
GPPYOQFFGGFXNW-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(2,4,6-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 170.0
[M+Na]+ 318.167558 176.2
[M-H]- 294.171064 174.8
[M+NH4]+ 313.212163 186.2
[M+K]+ 334.141498 176.2
[M+H-H2O]+ 278.175600 162.5
[M+HCOO]- 340.176541 193.8
[M+CH3COO]- 354.192191 212.4
[M+Na-2H]- 316.153006 170.8
[M]+ 295.17779142 178.6
[M]- 295.17888858 178.6
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.