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]+ 310.16490 171.9
[M+Na]+ 332.14684 178.0
[M-H]- 308.15034 177.6
[M+NH4]+ 327.19144 184.2
[M+K]+ 348.12078 178.0
[M+H-H2O]+ 292.15488 163.3
[M+HCOO]- 354.15582 189.2
[M+CH3COO]- 368.17147 206.4
[M+Na-2H]- 330.13229 172.9
[M]+ 309.15707 175.9
[M]- 309.15817 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