CID 43265

2-morpholino-1-methylethyl-3,4,5-trimethoxybenzoate

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

1
Patents

339.16818 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.175456 178.9
[M+Na]+ 362.157398 183.2
[M-H]- 338.160904 184.0
[M+NH4]+ 357.202003 189.4
[M+K]+ 378.131338 184.1
[M+H-H2O]+ 322.165440 169.8
[M+HCOO]- 384.166381 195.1
[M+CH3COO]- 398.182031 211.1
[M+Na-2H]- 360.142846 179.1
[M]+ 339.16763142 183.7
[M]- 339.16872858 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

patents stripe