CID 3047889

63868-63-3

Structural Information

Molecular Formula
C16H23NO5
SMILES
CC1C(OCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C16H23NO5/c1-10-11(2)22-7-6-17(10)16(18)12-8-13(19-3)15(21-5)14(9-12)20-4/h8-11H,6-7H2,1-5H3
InChIKey
PRWXVMWCOLOCLC-UHFFFAOYSA-N
Compound name
(2,3-dimethylmorpholin-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 171.5
[M+Na]+ 332.146838 178.6
[M-H]- 308.150344 177.6
[M+NH4]+ 327.191443 184.1
[M+K]+ 348.120778 178.7
[M+H-H2O]+ 292.154880 163.2
[M+HCOO]- 354.155821 188.8
[M+CH3COO]- 368.171471 207.7
[M+Na-2H]- 330.132286 171.9
[M]+ 309.15707142 176.0
[M]- 309.15816858 176.0
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.