CID 3047893

63868-66-6

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCC1CN(CCO1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H23NO5/c1-5-12-10-17(6-7-22-12)16(18)11-8-13(19-2)15(21-4)14(9-11)20-3/h8-9,12H,5-7,10H2,1-4H3
InChIKey
BNYWORTYOIXDLI-UHFFFAOYSA-N
Compound name
(2-ethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 171.9
[M+Na]+ 332.146838 178.0
[M-H]- 308.150344 177.6
[M+NH4]+ 327.191443 184.2
[M+K]+ 348.120778 178.0
[M+H-H2O]+ 292.154880 163.3
[M+HCOO]- 354.155821 189.2
[M+CH3COO]- 368.171471 206.4
[M+Na-2H]- 330.132286 172.9
[M]+ 309.15707142 175.9
[M]- 309.15816858 175.9
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

patents stripe