CID 115716

64039-12-9

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC1COCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H21NO5/c1-10-9-21-6-5-16(10)15(17)11-7-12(18-2)14(20-4)13(8-11)19-3/h7-8,10H,5-6,9H2,1-4H3
InChIKey
UORGSXHQIIXQJV-UHFFFAOYSA-N
Compound name
(3-methylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 167.2
[M+Na]+ 318.131188 173.8
[M-H]- 294.134694 173.1
[M+NH4]+ 313.175793 180.1
[M+K]+ 334.105128 174.1
[M+H-H2O]+ 278.139230 158.8
[M+HCOO]- 340.140171 184.9
[M+CH3COO]- 354.155821 203.4
[M+Na-2H]- 316.116636 168.8
[M]+ 295.14142142 171.0
[M]- 295.14251858 171.0
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.