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]+ 296.18562 170.0
[M+Na]+ 318.16756 176.2
[M-H]- 294.17106 174.8
[M+NH4]+ 313.21216 186.2
[M+K]+ 334.14150 176.2
[M+H-H2O]+ 278.17560 162.5
[M+HCOO]- 340.17654 193.8
[M+CH3COO]- 354.19219 212.4
[M+Na-2H]- 316.15301 170.8
[M]+ 295.17779 178.6
[M]- 295.17889 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.