CID 32084

Acetophenone, 3',4',5'-trimethoxy-2-morpholino-, hydrobromide

Structural Information

Molecular Formula
C15H21NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCOCC2
InChI
InChI=1S/C15H21NO5/c1-18-13-8-11(9-14(19-2)15(13)20-3)12(17)10-16-4-6-21-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKey
PFGLWKZPHMSDEM-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.14197 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 167.2
[M+Na]+ 318.13119 172.7
[M-H]- 294.13469 172.6
[M+NH4]+ 313.17579 179.6
[M+K]+ 334.10513 172.9
[M+H-H2O]+ 278.13923 158.5
[M+HCOO]- 340.14017 184.9
[M+CH3COO]- 354.15582 202.7
[M+Na-2H]- 316.11664 169.5
[M]+ 295.14142 170.6
[M]- 295.14252 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.