CID 3047886

Brn 1148519

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CN(C)C1=C(C(=C(C=C1C(=O)N2CCOCC2)OC)OC)OC
InChI
InChI=1S/C16H24N2O5/c1-17(2)13-11(16(19)18-6-8-23-9-7-18)10-12(20-3)14(21-4)15(13)22-5/h10H,6-9H2,1-5H3
InChIKey
ZLINMXFLDKXARW-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-3,4,5-trimethoxyphenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 176.0
[M+Na]+ 347.15774 181.3
[M-H]- 323.16124 183.0
[M+NH4]+ 342.20234 187.8
[M+K]+ 363.13168 182.7
[M+H-H2O]+ 307.16578 166.8
[M+HCOO]- 369.16672 194.8
[M+CH3COO]- 383.18237 214.9
[M+Na-2H]- 345.14319 176.8
[M]+ 324.16797 180.5
[M]- 324.16907 180.5
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.