CID 43267

60439-46-5

Structural Information

Molecular Formula
C17H25NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCOCC2
InChI
InChI=1S/C17H25NO6/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)24-8-4-5-18-6-9-23-10-7-18/h11-12H,4-10H2,1-3H3
InChIKey
VXOBLNCPAAJICO-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

339.16818 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17546 179.0
[M+Na]+ 362.15740 183.5
[M-H]- 338.16090 184.0
[M+NH4]+ 357.20200 189.6
[M+K]+ 378.13134 184.0
[M+H-H2O]+ 322.16544 169.7
[M+HCOO]- 384.16638 196.2
[M+CH3COO]- 398.18203 210.2
[M+Na-2H]- 360.14285 180.4
[M]+ 339.16763 184.4
[M]- 339.16873 184.4
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.