CID 43265

60439-44-3

Structural Information

Molecular Formula
C17H25NO6
SMILES
CC(CN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H25NO6/c1-12(11-18-5-7-23-8-6-18)24-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3
InChIKey
UJWFQGRSIXAHQU-UHFFFAOYSA-N
Compound name
1-morpholin-4-ylpropan-2-yl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.16818 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17546 178.9
[M+Na]+ 362.15740 183.2
[M-H]- 338.16090 184.0
[M+NH4]+ 357.20200 189.4
[M+K]+ 378.13134 184.1
[M+H-H2O]+ 322.16544 169.8
[M+HCOO]- 384.16638 195.1
[M+CH3COO]- 398.18203 211.1
[M+Na-2H]- 360.14285 179.1
[M]+ 339.16763 183.7
[M]- 339.16873 183.7
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.