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]+ 325.175796 176.0
[M+Na]+ 347.157738 181.3
[M-H]- 323.161244 183.0
[M+NH4]+ 342.202343 187.8
[M+K]+ 363.131678 182.7
[M+H-H2O]+ 307.165780 166.8
[M+HCOO]- 369.166721 194.8
[M+CH3COO]- 383.182371 214.9
[M+Na-2H]- 345.143186 176.8
[M]+ 324.16797142 180.5
[M]- 324.16906858 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.