CID 43266

60439-45-4

Structural Information

Molecular Formula
C18H27NO6
SMILES
CC(CCN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H27NO6/c1-13(5-6-19-7-9-24-10-8-19)25-18(20)14-11-15(21-2)17(23-4)16(12-14)22-3/h11-13H,5-10H2,1-4H3
InChIKey
HGLBNWHEUMEGLM-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.18384 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19112 183.5
[M+Na]+ 376.17306 187.3
[M-H]- 352.17656 188.4
[M+NH4]+ 371.21766 193.4
[M+K]+ 392.14700 188.1
[M+H-H2O]+ 336.18110 174.2
[M+HCOO]- 398.18204 199.4
[M+CH3COO]- 412.19769 214.1
[M+Na-2H]- 374.15851 183.2
[M]+ 353.18329 188.7
[M]- 353.18439 188.7
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.